data_1yhd_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1yhd _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.914 0.388 . . . . 75.42 110.962 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ALA . 23.4 pt -79.6 -176.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 72.21 111.15 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 32.4 t80 -122.27 99.14 6.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.895 -0.593 . . . . 72.41 109.793 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 23.5 t -58.96 148.83 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 65.22 111.205 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -98.42 -26.47 14.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.674 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -74.62 -42.45 58.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.166 -0.47 . . . . 73.04 110.051 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.44 -18.96 23.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.807 -0.633 . . . . 73.11 110.397 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 60.49 41.78 15.29 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.112 -0.495 . . . . 71.4 110.279 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.64 -173.13 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 74.21 110.133 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.6 tt0 -104.45 111.94 24.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 65.42 110.848 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . -113.56 179.61 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 73.25 111.095 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.62 -11.24 59.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 72.43 111.456 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.06 174.44 1.9 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.685 -0.769 . . . . 53.22 112.471 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HG3' ' HG3' ' A' ' 37' ' ' LYS . 8.7 mp0 -88.6 178.74 6.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 72.41 111.146 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.45 -24.47 7.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 63.02 111.378 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -139.98 138.69 35.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 75.5 111.025 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 30.5 tt0 -61.58 132.02 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.991 -0.55 . . . . 75.54 111.017 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.6 mt -99.51 -42.55 6.88 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.082 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.615 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -88.31 164.67 32.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.623 -0.51 . . . . 71.5 109.623 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.608 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 25.9 Cg_endo -87.19 -178.86 2.61 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.5 2.133 . . . . 65.33 113.263 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.23 -141.28 1.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.195 -0.912 . . . . 62.31 114.694 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.51 -38.38 34.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.108 -0.546 . . . . 61.3 111.146 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -47.88 -54.18 13.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 73.23 110.365 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.615 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -58.5 -28.4 62.28 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.258 -0.972 . . . . 70.33 111.699 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -64.91 -58.26 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.558 0.218 . . . . 74.43 110.688 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -55.77 -40.06 72.1 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 116.584 -0.28 . . . . 74.43 111.039 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.456 HD13 ' HA2' ' A' ' 28' ' ' GLY . 8.9 mt -63.42 -56.8 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.566 0.698 . . . . 75.33 109.432 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -60.08 -18.24 45.51 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.776 -1.102 . . . . 75.01 110.426 178.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.4 m-80 -99.16 -57.91 2.06 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.971 0.73 . . . . 73.34 112.971 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.5 mm-40 -94.82 -19.18 20.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.96 0.726 . . . . 71.44 112.96 -177.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.428 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 17.4 mm -103.15 97.57 5.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.975 0.417 . . . . 72.42 110.536 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.0 t -61.82 172.01 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 70.31 111.143 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HG3' ' HG3' ' A' ' 18' ' ' GLN . 42.7 mttt -59.45 -37.81 79.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 71.22 110.829 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -46.97 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.844 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.58 88.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 64.24 110.942 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.423 ' CZ3' HG23 ' A' ' 31' ' ' ILE . 20.0 t-105 -62.68 -37.0 84.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 75.41 110.751 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 -20.72 66.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 63.23 110.921 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.06 -28.44 29.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 75.14 110.374 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.464 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 14.2 t-105 -84.87 -52.89 5.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 73.42 110.245 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -45.14 -41.87 8.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.246 -0.433 . . . . 74.45 111.079 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.403 ' O ' HG21 ' A' ' 48' ' ' THR . 41.5 t60 -63.56 -43.52 96.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.452 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.46 -23.12 50.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.415 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' TRP . 31.8 tt0 -68.75 -55.7 10.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.273 -0.421 . . . . 75.45 111.13 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.403 HG21 ' O ' ' A' ' 45' ' ' HIS . 13.2 t -52.47 -39.74 61.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 74.14 111.862 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -78.82 -33.22 46.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.65 0.262 . . . . 74.2 111.053 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 22.5 mt -63.8 -32.68 74.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.976 0.417 . . . . 74.11 110.391 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.493 HD12 HD12 ' A' ' 67' ' ' LEU . 77.3 mt -74.88 -36.04 38.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.975 -0.557 . . . . 73.01 110.904 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -77.95 -35.16 50.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 75.53 111.137 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.89 -54.2 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.458 -0.337 . . . . 72.53 111.171 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.95 -6.63 50.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.345 . . . . 71.11 111.14 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 62.77 59.18 1.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.993 0.425 . . . . 74.11 110.581 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 55.6 mt -87.38 -174.2 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 75.54 110.583 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.415 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 3.9 t30 -160.17 103.14 1.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.921 0.391 . . . . 70.12 110.439 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.435 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -60.41 -18.87 53.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.572 . . . . 73.33 111.407 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -25.0 40.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.758 0.313 . . . . 74.53 110.691 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -94.8 137.24 34.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 73.54 110.565 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -70.71 -29.81 66.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.26 -37.78 88.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 73.41 111.197 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -85.38 -42.85 14.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 65.41 110.738 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 2.3 tpt180 -46.27 -53.27 11.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 71.4 110.721 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -61.66 -27.06 68.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.951 -0.568 . . . . 61.24 110.443 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -45.12 81.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 65.44 110.474 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.493 HD12 HD12 ' A' ' 51' ' ' ILE . 1.7 mt -56.83 -52.27 65.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.078 0.466 . . . . 72.34 109.916 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.463 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 4.7 tm-20 -54.9 -23.76 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.576 -0.738 . . . . 75.24 110.396 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -75.36 -46.73 31.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.139 -0.482 . . . . 75.11 110.692 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.93 -51.23 62.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 75.23 111.209 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.464 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -44.68 -44.23 8.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.52 -0.309 . . . . 72.11 111.296 -179.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.47 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 58.1 t -53.72 -59.29 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.888 0.375 . . . . 73.42 110.868 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -51.16 -20.73 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 64.34 111.475 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -95.21 -49.26 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.526 -0.306 . . . . 74.22 111.567 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.32 -49.89 3.61 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.517 0.562 . . . . 74.13 112.517 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 61.8 m-85 -93.94 28.53 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.62 0.6 . . . . 73.34 112.62 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.8 OUTLIER -68.02 59.28 0.07 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.914 -0.585 . . . . 71.23 110.767 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 CA-C-N 115.814 -0.63 . . . . 72.21 112.582 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.556 0.217 . . . . 75.42 110.735 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 5' ' ' THR . 5.1 pt -145.49 170.36 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.457 -0.338 . . . . 72.21 110.42 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -105.49 95.82 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.416 -0.357 . . . . 72.41 110.243 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 28.8 t -61.93 150.56 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 65.22 110.678 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 t -100.63 -22.26 15.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.865 0.364 . . . . 74.14 110.589 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' A' ' 39' ' ' ALA . 75.2 t80 -74.39 -47.36 34.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.985 -0.552 . . . . 73.04 110.092 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.65 -17.18 30.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 73.11 110.362 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 61.04 41.0 14.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.146 0.498 . . . . 71.4 110.312 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -143.79 -170.26 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.475 -0.784 . . . . 74.21 109.693 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 5.9 tt0 -104.83 103.83 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.986 0.422 . . . . 65.42 110.761 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.44 165.1 16.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.933 -0.576 . . . . 73.25 110.995 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 -57.41 158.72 5.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.466 -0.334 . . . . 72.43 110.752 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.47 173.98 15.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.762 . . . . 53.22 112.356 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -97.77 152.53 19.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 72.41 110.892 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -99.01 -21.25 16.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 63.02 111.177 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -127.04 126.09 42.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 75.5 111.04 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -60.33 133.18 55.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.703 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.505 HD11 ' NE1' ' A' ' 40' ' ' TRP . 5.6 mt -92.4 -42.37 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.556 . . . . 71.53 110.697 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.627 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -93.78 165.65 17.52 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.685 -0.487 . . . . 71.5 109.685 178.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.616 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 16.7 Cg_endo -92.21 -170.54 0.31 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.868 2.379 . . . . 65.33 112.872 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.46 -143.52 0.59 Allowed Glycine 0 C--N 1.33 0.201 0 CA-C-N 115.479 -0.782 . . . . 62.31 114.446 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -80.33 -37.3 32.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.126 -0.537 . . . . 61.3 111.364 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' HG ' ' CG ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -51.5 -52.99 42.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 73.23 110.362 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.627 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -55.85 -32.32 58.99 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.279 -0.962 . . . . 70.33 111.51 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -60.51 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.627 0.251 . . . . 74.43 110.446 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 1.9 ptp180 -56.74 -39.71 74.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.305 -0.407 . . . . 74.43 111.47 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 23' ' ' TYR . 5.5 mt -63.54 -60.8 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 121.526 0.679 . . . . 75.33 109.815 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.436 ' CE2' ' O ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -57.01 -18.29 13.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.03 -0.987 . . . . 75.01 110.617 179.257 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -99.89 -55.3 2.68 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.18 0.807 . . . . 73.34 113.18 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 mm-40 -94.73 -18.12 21.57 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.769 0.655 . . . . 71.44 112.769 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' A' ' 31' ' ' ILE . 13.9 mm -103.48 94.14 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.89 0.376 . . . . 72.42 110.766 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.6 p -57.5 170.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.526 . . . . 70.31 111.003 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -60.86 -25.31 66.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 71.22 110.846 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -46.34 75.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 72.33 111.595 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 10' ' ' PHE . . . -71.37 -43.76 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.822 0.304 . . . . 64.24 111.822 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.505 ' NE1' HD11 ' A' ' 22' ' ' LEU . 58.1 t-105 -54.52 -41.89 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.736 0.303 . . . . 75.41 111.095 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.41 68.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.362 . . . . 63.23 110.796 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -73.77 -38.07 64.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.404 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.528 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 15.9 t-105 -68.24 -50.39 54.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 73.42 110.171 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -46.87 -41.57 15.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.415 . . . . 74.45 110.738 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.414 ' O ' HG23 ' A' ' 48' ' ' THR . 49.0 t60 -65.5 -42.02 92.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.866 -0.606 . . . . 71.33 110.746 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 49' ' ' MET . 6.5 tptt -80.06 -19.73 46.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.697 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' TRP . 9.1 tt0 -69.28 -55.73 9.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.274 -0.421 . . . . 75.45 110.764 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 45' ' ' HIS . 11.6 t -49.5 -42.44 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 74.14 111.8 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -75.51 -35.53 60.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 74.2 110.78 -179.61 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.648 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 19.4 mt -62.84 -27.73 69.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.383 . . . . 74.11 110.296 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 67' ' ' LEU . 50.9 mt -84.53 -44.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 73.01 110.846 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -68.28 -35.56 78.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.954 -0.566 . . . . 75.53 111.443 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.39 -49.57 9.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.415 -0.357 . . . . 72.53 111.763 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -73.93 -9.41 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.677 0.275 . . . . 71.11 110.87 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mttm 64.53 55.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.978 0.418 . . . . 74.11 110.628 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 44.3 mt -84.04 -171.97 3.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 75.54 110.376 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.12 96.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.414 -0.357 . . . . 70.12 110.631 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.429 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.84 -20.22 34.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 73.33 111.32 -179.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.7 mtt -81.3 10.77 5.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.56 -0.291 . . . . 74.53 111.558 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -138.9 128.16 24.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.351 . . . . 73.54 110.721 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.98 -24.94 63.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.243 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.63 -45.35 87.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 73.41 111.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -85.41 -34.87 21.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.937 0.398 . . . . 65.41 110.556 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -48.26 -48.31 35.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.011 -0.54 . . . . 71.4 110.373 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -66.22 -30.86 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.798 -0.637 . . . . 61.24 110.137 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -49.03 69.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 65.44 110.76 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 51' ' ' ILE . 4.4 mt -58.4 -46.09 87.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.401 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.498 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -53.19 -21.79 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.79 -0.641 . . . . 75.24 110.495 179.353 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 -52.26 6.86 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.112 -0.494 . . . . 75.11 111.418 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.52 -42.05 98.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.462 -0.335 . . . . 75.23 111.175 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.528 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -48.53 -45.57 37.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 72.11 111.17 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 77' ' ' GLU . 93.3 t -51.29 -57.01 3.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.924 0.392 . . . . 73.42 110.262 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 20.9 t-20 -51.39 -20.68 1.87 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.89 -0.596 . . . . 64.34 111.114 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -95.46 -51.43 4.56 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.407 -0.36 . . . . 74.22 111.937 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.423 HD12 ' CG ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.03 -44.72 5.14 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.62 0.6 . . . . 74.13 112.62 -178.353 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 56.2 m-85 -97.43 28.72 3.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.008 0.432 . . . . 73.34 112.127 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' VAL . 73.4 tt0 -67.31 59.29 0.05 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.518 -0.765 . . . . 71.23 111.083 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 C-N-CA 120.913 -0.661 . . . . 72.21 112.379 -179.859 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.707 0.289 . . . . 75.42 110.391 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.456 HD11 ' O ' ' A' ' 33' ' ' ASN . 30.3 pt -80.47 -176.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.047 0.451 . . . . 72.21 111.594 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 21.5 t80 -117.15 100.36 7.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 72.41 109.802 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 35.4 t -60.82 146.56 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.429 -0.351 . . . . 65.22 110.442 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.1 t -98.84 -23.73 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.662 0.268 . . . . 74.14 110.863 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 55.2 t80 -74.56 -43.91 53.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.997 0.427 . . . . 73.04 110.014 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.0 -16.05 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 73.11 110.624 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 60.75 40.74 15.77 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.033 0.445 . . . . 71.4 110.241 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -142.31 -167.28 2.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 74.21 110.345 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 6.5 tt0 -106.44 123.83 48.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 65.42 110.49 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' O ' ' CG1' ' A' ' 6' ' ' ILE . . . -150.3 164.33 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.373 . . . . 73.25 111.339 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.41 168.39 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 72.43 111.056 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -124.63 152.0 17.4 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.725 -0.75 . . . . 53.22 112.443 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -57.9 179.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.805 0.336 . . . . 72.41 111.012 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -116.84 -28.79 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 63.02 111.325 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -136.94 136.45 38.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 75.5 111.187 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 43.0 tt0 -59.33 124.81 21.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.938 -0.573 . . . . 75.54 110.77 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 mt -89.81 -46.47 8.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 71.53 111.162 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -83.59 169.33 17.66 Favored Pre-proline 0 C--N 1.331 -0.213 0 N-CA-C 109.493 -0.558 . . . . 71.5 109.493 178.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.54 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 13.3 Cg_endo -92.37 179.04 1.36 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.743 2.295 . . . . 65.33 113.119 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.02 -142.71 1.69 Allowed Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.45 -0.796 . . . . 62.31 114.894 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 1.4 tp10 -79.14 -39.68 32.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.915 -0.642 . . . . 61.3 111.564 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.688 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -49.96 -49.72 49.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.974 0.416 . . . . 73.23 110.623 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.597 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -58.9 -33.35 73.27 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.175 -1.012 . . . . 70.33 112.116 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -58.56 -52.54 65.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.691 0.281 . . . . 74.43 111.077 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.688 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.3 ptp180 -59.15 -36.29 74.99 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.598 -0.274 . . . . 74.43 111.149 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.448 HD12 ' HA2' ' A' ' 28' ' ' GLY . 6.9 mt -66.52 -52.15 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-O 121.575 0.703 . . . . 75.33 109.418 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -18.38 64.22 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.862 -1.063 . . . . 75.01 110.034 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' O ' HD11 ' A' ' 6' ' ' ILE . 37.1 m-20 -100.64 -52.67 3.27 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.809 1.04 . . . . 73.34 113.809 -178.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.5 mt-10 -98.69 -15.25 19.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.435 0.902 . . . . 71.44 113.435 -177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.483 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 25.0 mm -105.41 105.1 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.016 0.436 . . . . 72.42 111.483 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.6 p -62.91 167.42 4.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.939 -0.573 . . . . 70.31 110.83 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -60.17 -29.21 68.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.045 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.62 -44.13 67.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.463 -0.335 . . . . 72.33 111.287 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.58 78.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.447 -0.342 . . . . 64.24 110.973 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.448 ' CZ3' HG23 ' A' ' 31' ' ' ILE . 39.8 t-105 -64.38 -32.69 74.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.539 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.42 64.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 63.23 110.951 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.39 -35.54 25.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.106 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.445 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 16.9 t-105 -74.6 -52.43 11.81 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.074 -0.512 . . . . 73.42 110.1 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -43.77 -40.34 4.28 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.178 -0.464 . . . . 74.45 110.631 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.422 ' O ' HG23 ' A' ' 48' ' ' THR . 66.8 t60 -64.41 -47.9 77.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.708 -0.678 . . . . 71.33 110.289 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.524 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 4.0 tptt -72.38 -25.77 61.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.989 -0.55 . . . . 74.13 110.7 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -66.45 -56.58 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.96 0.41 . . . . 75.45 110.775 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 49' ' ' MET . 12.9 t -50.24 -39.95 46.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 74.14 111.855 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.441 ' N ' HG22 ' A' ' 48' ' ' THR . 4.3 ptm -78.22 -42.67 30.64 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.97 -0.292 . . . . 74.2 110.817 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 23.9 mt -54.84 -26.17 33.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 74.11 110.587 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.5 HD11 HD12 ' A' ' 67' ' ' LEU . 62.0 mt -84.53 -42.26 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 73.01 110.854 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -73.48 -36.01 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.928 -0.578 . . . . 75.53 111.383 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -52.77 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 72.53 111.385 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -77.6 -5.89 51.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.74 0.305 . . . . 71.11 111.019 179.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.9 mttt 62.09 62.58 1.19 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.879 0.371 . . . . 74.11 110.716 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD13 ' HG ' ' A' ' 67' ' ' LEU . 37.6 mt -90.11 -174.28 4.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.984 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -158.36 100.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 70.12 110.635 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -15.85 49.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.827 -0.624 . . . . 73.33 111.831 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -7.29 58.69 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.077 -0.249 . . . . 74.53 111.113 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.89 130.1 53.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.345 . . . . 73.54 110.718 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -58.69 -30.04 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.372 . . . . 75.0 110.943 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -58.46 -45.12 89.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.028 -0.533 . . . . 73.41 111.528 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -85.11 -36.99 20.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 65.41 110.466 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -50.57 -49.2 56.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 71.4 110.724 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -66.63 -24.85 66.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 61.24 110.848 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -50.06 67.29 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.025 -0.361 . . . . 65.44 110.025 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.5 HD12 HD11 ' A' ' 51' ' ' ILE . 4.3 mt -52.87 -43.75 66.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.275 0.56 . . . . 72.34 109.596 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.683 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 3.0 tt0 -53.47 -24.67 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.282 -0.872 . . . . 75.24 110.344 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.88 -45.08 29.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 75.11 110.71 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -67.88 -49.14 63.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 75.23 111.697 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.443 ' HA ' ' CE3' ' A' ' 43' ' ' TRP . 3.3 ptm -43.93 -37.49 2.91 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.546 -0.297 . . . . 72.11 111.538 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.436 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 72.5 t -63.59 -61.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 73.42 110.735 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 4.8 t-20 -50.38 -19.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 64.34 111.462 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.459 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 25.0 t80 -95.2 -50.02 5.23 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.734 0.272 . . . . 74.22 111.734 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.413 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -102.74 -46.77 4.61 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.506 0.558 . . . . 74.13 112.506 -178.666 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.483 ' CZ ' HG12 ' A' ' 35' ' ' ILE . 81.9 m-85 -95.64 28.38 3.04 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 112.287 0.477 . . . . 73.34 112.287 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 23.2 tt0 -65.53 57.56 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.867 -0.606 . . . . 71.23 111.065 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.782 -0.723 . . . . 72.21 112.627 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.865 0.364 . . . . 75.42 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 22.1 pt -91.39 -179.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 72.21 111.135 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 1.2 t80 -116.12 97.69 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.435 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 36.8 t -63.08 105.57 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 65.22 111.381 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.407 HG23 ' CD1' ' A' ' 35' ' ' ILE . 7.5 t -60.24 -17.59 42.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 74.14 111.432 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -74.52 -53.17 9.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.921 0.391 . . . . 73.04 110.164 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.19 -8.99 54.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 73.11 110.696 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 58.84 41.17 21.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.324 -0.398 . . . . 71.4 110.361 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -143.88 174.89 10.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 74.21 110.273 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.8 tt0 -95.38 117.08 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.946 0.403 . . . . 65.42 111.383 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.38 175.5 5.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.049 -0.523 . . . . 73.25 111.008 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -18.03 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.446 -0.343 . . . . 72.43 111.822 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.32 -167.9 22.21 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.636 -0.792 . . . . 53.22 112.633 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -113.88 179.67 3.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.793 0.33 . . . . 72.41 110.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.07 -22.3 7.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.231 -0.441 . . . . 63.02 111.54 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -128.9 142.98 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 75.5 111.104 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 25.8 tt0 -71.07 122.61 20.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 75.54 110.431 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.518 HD22 ' NE1' ' A' ' 40' ' ' TRP . 6.8 mp -86.22 -36.3 19.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 71.53 111.645 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.605 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -97.79 169.25 8.77 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.475 -0.33 . . . . 71.5 110.165 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.546 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 15.4 Cg_endo -93.39 -170.1 0.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.019 2.479 . . . . 65.33 112.986 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.02 -143.96 0.22 Allowed Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.352 -0.84 . . . . 62.31 114.522 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 2.2 mt-10 -81.35 -34.76 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.237 -0.481 . . . . 61.3 111.148 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.584 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -55.25 -47.63 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.783 0.325 . . . . 73.23 110.296 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.605 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -60.81 -31.29 75.25 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.141 -1.028 . . . . 70.33 111.678 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 16.9 mttm -64.73 -53.77 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.297 . . . . 74.43 110.334 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.3 ptm180 -58.84 -39.8 82.35 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.29 -0.414 . . . . 74.43 111.315 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.491 HD13 ' HA2' ' A' ' 28' ' ' GLY . 6.9 mt -65.29 -59.59 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.26 0.552 . . . . 75.33 110.075 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -18.56 56.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.528 -0.76 . . . . 75.01 110.714 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 83.8 m-20 -100.57 -45.41 5.53 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.94 0.718 . . . . 73.34 112.94 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' ARG . 29.6 mt-10 -100.97 -18.24 16.4 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.695 0.628 . . . . 71.44 112.695 -178.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.429 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 9.5 mm -109.14 126.66 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.947 0.403 . . . . 72.42 110.814 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.64 174.18 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 70.31 110.76 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -59.08 -34.99 72.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 71.22 110.859 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.63 -42.49 88.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.037 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.3 -45.53 19.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 64.24 111.179 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.518 ' NE1' HD22 ' A' ' 22' ' ' LEU . 66.8 t-105 -55.52 -38.53 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 75.41 110.691 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.72 81.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 63.23 110.299 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -68.6 -29.74 68.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.798 -0.637 . . . . 75.14 110.278 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' GLN . 23.0 t-105 -72.69 -50.35 25.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.072 -0.513 . . . . 73.42 110.627 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 9.1 mm100 -44.1 -51.75 7.74 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.996 0.427 . . . . 74.45 110.755 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -60.87 -51.96 67.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.878 -0.601 . . . . 71.33 110.54 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 20.4 tptt -66.2 -19.88 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.13 111.08 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' TRP . 31.9 tt0 -77.89 -56.97 4.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.865 0.364 . . . . 75.45 110.917 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -53.82 -35.33 61.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 74.14 111.601 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -37.29 50.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.328 . . . . 74.2 111.303 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 19.0 mt -58.0 -33.36 68.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.401 . . . . 74.11 110.742 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 56' ' ' LEU . 62.4 mt -73.8 -44.07 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.947 -0.57 . . . . 73.01 111.269 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -72.48 -28.53 62.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.209 -0.45 . . . . 75.53 111.028 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.24 -53.8 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 72.53 111.337 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 4.4 mptt -76.16 -2.2 29.92 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.48 -0.327 . . . . 71.11 111.409 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp 63.46 53.5 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 74.11 111.39 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 HD11 ' HG ' ' A' ' 67' ' ' LEU . 63.2 mt -88.69 174.88 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.415 -0.357 . . . . 75.54 110.218 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -150.39 105.1 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.963 0.411 . . . . 70.12 110.652 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -22.58 27.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 73.33 111.315 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.0 0.48 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.518 -0.31 . . . . 74.53 111.147 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -119.18 137.07 53.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.304 . . . . 73.54 110.723 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.98 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.415 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -35.15 76.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 73.41 111.261 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -85.41 -39.58 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 65.41 111.066 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -52.06 34.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.761 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -64.2 -29.03 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 61.24 110.811 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -46.4 90.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.354 . . . . 65.44 110.8 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.464 ' HG ' HD11 ' A' ' 56' ' ' LEU . 1.4 mt -59.81 -44.15 94.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.965 0.412 . . . . 72.34 110.248 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 9.7 mt-10 -56.85 -23.47 44.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.95 -0.568 . . . . 75.24 109.841 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -47.53 16.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.586 -0.734 . . . . 75.11 110.584 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.16 -43.08 96.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.959 -0.564 . . . . 75.23 111.204 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.461 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 6.0 ptm -47.85 -35.51 10.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.39 -0.368 . . . . 72.11 111.381 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' PHE . 98.9 t -63.14 -58.27 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 121.138 0.494 . . . . 73.42 109.845 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 53.2 t30 -49.7 -21.39 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 64.34 111.293 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -95.62 -49.1 5.53 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.422 -0.354 . . . . 74.22 111.875 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.23 -39.7 6.73 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.977 0.732 . . . . 74.13 112.977 -178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 97.0 m-85 -105.9 28.5 7.52 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.089 0.403 . . . . 73.34 112.089 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.2 tt0 -65.84 58.35 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.905 -0.589 . . . . 71.23 111.293 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.449 -0.467 0 C-N-CA 120.68 -0.771 . . . . 72.21 113.051 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.774 0.321 . . . . 75.42 110.72 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 pt -80.86 -179.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 72.21 111.04 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 3.6 t80 -116.21 100.3 7.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.27 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 18.2 t -62.28 146.15 51.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 65.22 110.738 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -96.36 -22.22 17.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.455 -0.338 . . . . 74.14 110.633 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 37.0 t80 -74.56 -45.57 44.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 73.04 110.187 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.4 -13.47 32.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 73.11 110.619 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 58.63 42.48 20.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.043 0.449 . . . . 71.4 110.193 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -143.7 -173.28 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.868 -0.606 . . . . 74.21 110.383 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 1.9 tt0 -103.15 115.76 31.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.4 -0.364 . . . . 65.42 110.712 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.05 171.61 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 73.25 111.34 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.63 -177.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.632 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.03 -176.65 14.5 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.759 . . . . 53.22 112.496 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.28 155.88 17.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 72.41 111.063 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.93 -26.85 28.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 63.02 111.546 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -150.26 143.95 25.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.39 . . . . 75.5 111.346 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 38.6 tt0 -60.43 120.69 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 75.54 110.672 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.0 -43.83 14.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 71.53 111.147 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.626 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -88.49 165.16 29.51 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.44 -0.345 . . . . 71.5 110.09 179.551 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.626 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.8 Cg_endo -92.03 -172.88 0.44 Allowed 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.847 2.364 . . . . 65.33 113.11 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.29 -142.97 0.61 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.163 -0.926 . . . . 62.31 114.452 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -81.16 -34.38 32.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.21 -0.495 . . . . 61.3 111.71 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -54.1 -50.72 66.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.994 0.426 . . . . 73.23 110.068 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.623 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -57.41 -34.46 68.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.528 -0.844 . . . . 70.33 111.911 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -62.08 -56.48 18.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.726 0.298 . . . . 74.43 110.698 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 11.7 ptp180 -57.53 -40.01 77.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.414 . . . . 74.43 111.265 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.482 HD11 ' HA2' ' A' ' 28' ' ' GLY . 7.7 mt -64.31 -61.13 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.438 0.637 . . . . 75.33 109.957 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -18.25 10.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.211 -0.904 . . . . 75.01 110.783 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -99.59 -53.91 3.07 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.056 0.761 . . . . 73.34 113.056 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.9 mm-40 -94.33 -19.51 20.59 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.449 0.537 . . . . 71.44 112.449 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.417 HG12 ' HA ' ' A' ' 31' ' ' ILE . 16.7 mm -103.23 97.19 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.845 0.355 . . . . 72.42 110.594 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.7 p -57.93 174.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.99 -0.55 . . . . 70.31 111.006 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -62.85 -35.38 79.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 71.22 110.882 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -41.42 89.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 72.33 111.261 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.96 -37.25 78.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.367 . . . . 64.24 111.013 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.481 ' CZ3' ' CD1' ' A' ' 43' ' ' TRP . 24.5 t-105 -65.02 -41.34 95.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.038 -0.528 . . . . 75.41 110.749 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.88 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 63.23 111.044 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -83.4 -27.11 29.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.591 . . . . 75.14 110.607 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.589 ' HZ2' ' HG ' ' A' ' 67' ' ' LEU . 17.7 t-105 -84.16 -46.92 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 73.42 110.578 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 10.6 mm-40 -47.64 -42.02 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.99 0.424 . . . . 74.45 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' O ' HG21 ' A' ' 48' ' ' THR . 28.9 t60 -66.58 -50.11 64.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.984 -0.553 . . . . 71.33 110.325 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 5.3 tptt -69.97 -19.57 63.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.269 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' TRP . 2.7 tt0 -78.07 -59.93 2.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.416 . . . . 75.45 111.209 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.405 HG21 ' O ' ' A' ' 45' ' ' HIS . 9.8 t -47.93 -30.11 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 74.14 112.064 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.512 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.5 -35.77 53.27 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 121.07 -0.252 . . . . 74.2 111.234 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 81.4 mt -65.97 -42.3 90.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 74.11 110.212 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.406 ' CG2' ' HB2' ' A' ' 56' ' ' LEU . 37.6 mt -62.39 -42.53 95.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.234 -0.439 . . . . 73.01 110.638 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -74.89 -36.83 62.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 75.53 111.005 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.54 -54.3 6.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 72.53 111.208 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.63 -9.93 59.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 71.11 110.808 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt 63.18 64.46 0.84 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.275 -0.42 . . . . 74.11 111.289 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 67.0 mt -88.77 -170.26 2.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.39 . . . . 75.54 110.154 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.09 97.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 70.12 110.967 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -19.93 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 73.33 111.451 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -86.03 13.68 7.3 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.574 0.226 . . . . 74.53 111.41 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.32 125.65 17.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.711 0.291 . . . . 73.54 110.585 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.31 -35.55 72.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 75.0 111.305 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -44.78 65.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.231 -0.44 . . . . 73.41 111.163 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -85.08 -39.26 18.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.21 -0.45 . . . . 65.41 110.817 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -46.17 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.924 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -65.05 -30.81 71.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 61.24 110.616 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -43.1 71.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.298 -0.41 . . . . 65.44 110.494 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.589 ' HG ' ' HZ2' ' A' ' 43' ' ' TRP . 1.7 tp -59.5 -43.91 93.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 72.34 109.912 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 3.7 tm-20 -59.55 -20.73 57.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.887 -0.597 . . . . 75.24 110.324 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -80.56 -54.99 5.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.995 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.52 -45.96 84.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 75.23 111.396 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.537 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -45.05 -48.37 11.79 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.899 0.333 . . . . 72.11 111.899 -179.228 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.515 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 99.2 t -50.99 -57.98 2.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.955 0.407 . . . . 73.42 110.411 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -21.88 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.854 -0.612 . . . . 64.34 110.963 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.416 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 7.5 t80 -95.0 -52.72 4.1 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.242 0.46 . . . . 74.22 112.242 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.17 -48.61 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.708 0.633 . . . . 74.13 112.708 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.515 ' HB2' ' HA ' ' A' ' 72' ' ' VAL . 63.3 m-85 -92.04 27.04 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.252 0.464 . . . . 73.34 112.252 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.5 tt0 -68.18 58.59 0.08 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 120.985 0.422 . . . . 71.23 110.435 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.603 0 C-N-CA 120.822 -0.704 . . . . 72.21 112.779 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 75.42 110.58 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.6 pt -80.48 -175.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 72.21 111.025 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 31.0 t80 -118.72 97.03 5.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.654 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 17.3 t -59.07 144.16 46.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 65.22 110.27 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -97.58 -21.44 17.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.061 0.457 . . . . 74.14 110.641 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -74.24 -45.42 48.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.974 -0.557 . . . . 73.04 109.805 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.22 -16.61 32.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.841 -0.618 . . . . 73.11 110.63 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 61.77 40.56 12.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 71.4 110.164 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.31 -172.03 3.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 74.21 110.434 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 12.1 tt0 -103.64 116.13 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 65.42 110.627 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.38 167.27 22.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 73.25 111.247 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -66.46 165.37 14.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.741 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.25 -168.84 12.82 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.706 -0.759 . . . . 53.22 112.447 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.79 176.96 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 72.41 110.921 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.7 -26.88 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 63.02 111.328 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -123.52 130.91 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 75.5 111.145 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 49.9 tt0 -61.22 118.67 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.54 110.448 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.411 HD12 ' NE1' ' A' ' 40' ' ' TRP . 11.1 mt -80.82 -44.09 19.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 71.53 111.771 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.29 169.5 12.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 71.5 110.487 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -92.3 -172.78 0.42 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.043 2.495 . . . . 65.33 113.053 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.17 -142.78 0.2 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.257 -0.883 . . . . 62.31 114.51 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -81.35 -36.47 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.352 -0.424 . . . . 61.3 111.265 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -49.71 -52.52 30.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.404 . . . . 73.23 110.401 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.588 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -59.0 -34.25 78.07 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.505 -0.855 . . . . 70.33 112.073 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -54.87 35.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.605 0.24 . . . . 74.43 110.792 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.72 -39.33 80.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.561 -0.29 . . . . 74.43 111.254 -179.816 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.472 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 11.0 mt -63.87 -61.52 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 CA-C-O 121.457 0.646 . . . . 75.33 109.923 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -55.7 -18.19 7.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.965 -1.016 . . . . 75.01 110.172 179.049 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -98.31 -53.43 3.35 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.28 0.844 . . . . 73.34 113.28 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 1.2 mt-10 -94.47 -17.82 22.08 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.057 0.762 . . . . 71.44 113.057 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.409 HG12 ' CE1' ' A' ' 76' ' ' PHE . 19.3 mm -104.4 125.55 59.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.379 . . . . 72.42 110.749 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 p -82.22 179.41 7.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 70.31 111.055 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -68.15 -30.97 70.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.887 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.21 -41.02 77.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 72.33 110.974 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.06 -38.29 63.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 64.24 111.192 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.472 ' CZ3' HG23 ' A' ' 31' ' ' ILE . 61.0 t-105 -63.29 -39.0 93.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.873 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.58 -25.02 67.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 63.23 110.898 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -78.88 -37.31 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.068 -0.515 . . . . 75.14 110.576 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' GLN . 24.6 t-105 -69.66 -49.08 57.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 73.42 110.366 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -44.52 -40.69 5.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.083 0.468 . . . . 74.45 110.656 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -69.38 -49.41 55.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 71.33 110.33 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 2.1 tptm -70.64 -19.48 62.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 74.13 110.774 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' TRP . 2.5 tt0 -75.23 -56.81 4.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.435 . . . . 75.45 111.122 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -56.14 -32.55 64.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 74.14 111.941 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -76.68 -33.11 58.27 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.026 -0.269 . . . . 74.2 110.738 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 36.7 mt -60.84 -54.17 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.939 -0.393 . . . . 74.11 109.939 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.647 ' CG1' ' HB2' ' A' ' 56' ' ' LEU . 2.8 mt -56.31 -33.05 36.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 73.01 110.654 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -65.96 -54.66 23.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.052 -0.522 . . . . 75.53 111.092 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.12 -54.35 6.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 72.53 111.513 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -64.42 -14.75 58.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.562 -0.29 . . . . 71.11 111.14 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 63.98 62.13 0.9 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.039 0.447 . . . . 74.11 110.516 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.647 ' HB2' ' CG1' ' A' ' 51' ' ' ILE . 67.7 mt -95.42 -173.47 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.876 -0.602 . . . . 75.54 110.528 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -160.34 101.28 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 70.12 110.954 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.455 ' HE1' ' CD1' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -63.12 -12.44 27.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 73.33 111.377 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -30.04 40.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 74.53 110.519 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -96.05 146.45 24.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 73.54 110.758 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.77 -34.88 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 75.0 111.416 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -54.09 -42.25 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 73.41 111.181 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -85.68 -38.65 18.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 65.41 111.016 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -48.45 -49.35 35.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 71.4 110.926 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -25.03 64.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 61.24 110.703 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -42.34 88.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.796 0.331 . . . . 65.44 110.275 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mt -58.52 -35.27 72.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.058 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.477 ' HA ' ' SD ' ' A' ' 71' ' ' MET . 58.7 mt-10 -58.74 -20.37 48.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 75.24 110.246 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -81.01 -51.04 8.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.88 -0.6 . . . . 75.11 111.607 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.05 -48.1 72.17 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.102 0.408 . . . . 75.23 112.102 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.482 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 4.3 ptm -46.05 -30.7 1.96 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.588 0.233 . . . . 72.11 111.507 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 76' ' ' PHE . 99.0 t -65.55 -58.74 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 73.42 110.238 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -50.33 -20.28 1.04 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 64.34 111.289 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -95.4 -50.49 4.98 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.37 -0.377 . . . . 74.22 111.879 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 -45.46 4.93 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.219 0.452 . . . . 74.13 112.219 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 37.4 m-85 -96.69 28.32 3.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.94 0.348 . . . . 73.34 111.94 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -68.1 60.76 0.08 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.86 -0.609 . . . . 71.23 110.842 -179.444 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 CA-C-N 115.537 -0.756 . . . . 72.21 111.985 -179.86 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.826 0.346 . . . . 75.42 110.727 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.424 HD12 ' HA2' ' A' ' 17' ' ' GLY . 22.7 pt -83.56 -177.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 72.21 111.341 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -121.11 96.44 5.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 72.41 110.483 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 32.9 t -59.0 148.65 29.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.94 -0.573 . . . . 65.22 110.818 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 t -100.03 -21.65 15.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 74.14 110.915 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 48.7 t80 -74.27 -46.54 40.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.224 -0.444 . . . . 73.04 109.911 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.431 HD11 ' HB3' ' A' ' 38' ' ' GLU . 2.0 mt -92.8 -13.48 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 73.11 110.686 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 58.62 41.92 21.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.012 0.434 . . . . 71.4 110.552 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -140.89 -179.8 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.975 -0.557 . . . . 74.21 110.129 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -99.57 110.48 22.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.74 0.305 . . . . 65.42 110.844 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.94 177.63 4.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.297 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -33.66 72.38 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.23 0.538 . . . . 72.43 110.569 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' HA2' HD12 ' A' ' 6' ' ' ILE . . . 87.63 161.08 36.31 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.298 -0.864 . . . . 53.22 112.676 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -73.47 174.73 7.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.789 0.328 . . . . 72.41 110.814 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.04 -28.35 8.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 63.02 111.176 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' ' 22' ' ' LEU . 21.7 p90 -146.82 148.45 31.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.363 -0.38 . . . . 75.5 111.189 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.91 119.57 9.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 75.54 110.827 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.423 ' CD2' ' CE1' ' A' ' 20' ' ' PHE . 27.7 mt -87.32 -40.58 14.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 71.53 111.056 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.604 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -88.31 165.06 30.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.876 -0.416 . . . . 71.5 109.876 179.224 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 19.3 Cg_endo -90.46 -170.51 0.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.702 2.268 . . . . 65.33 112.562 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 39.31 -144.08 0.34 Allowed Glycine 0 N--CA 1.454 -0.162 0 CA-C-N 115.558 -0.746 . . . . 62.31 114.473 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -33.94 32.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.337 -0.432 . . . . 61.3 111.363 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD12 HD13 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -53.63 -49.68 67.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.353 -0.385 . . . . 73.23 110.738 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.604 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -60.32 -31.78 74.9 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.294 -0.955 . . . . 70.33 111.694 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -51.34 67.71 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.12 -0.232 . . . . 74.43 110.748 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -65.04 -41.49 95.15 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.58 -0.282 . . . . 74.43 111.624 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.52 HD13 HD12 ' A' ' 27' ' ' LEU . 9.1 mt -59.62 -62.98 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.498 0.666 . . . . 75.33 109.791 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.36 -18.39 2.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.106 -0.952 . . . . 75.01 110.3 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -94.56 -55.11 3.26 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.852 0.686 . . . . 73.34 112.852 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.1 mm-40 -96.8 -17.87 19.95 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.179 0.807 . . . . 71.44 113.179 -177.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.413 ' HB ' HG22 ' A' ' 31' ' ' ILE . 14.8 mm -103.89 96.3 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.935 0.398 . . . . 72.42 111.022 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -59.55 169.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 70.31 111.0 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -60.47 -34.76 74.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.064 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -61.64 -48.49 80.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.051 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.71 -36.51 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.97 0.414 . . . . 64.24 110.682 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CZ3' ' CD1' ' A' ' 43' ' ' TRP . 50.3 t-105 -61.96 -39.77 93.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 75.41 110.603 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.69 67.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 63.23 110.982 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -82.36 -30.72 30.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.14 109.967 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 13.1 t-105 -73.35 -49.01 29.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.998 -0.546 . . . . 73.42 109.845 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -49.49 -36.29 22.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.944 -0.571 . . . . 74.45 110.559 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -68.01 -40.1 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.775 -0.648 . . . . 71.33 110.5 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 49' ' ' MET . 11.4 tptt -83.21 -19.83 35.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 74.13 110.708 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' TRP . 1.7 tt0 -75.3 -51.93 12.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 75.45 110.831 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 t -56.49 -33.32 65.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.996 -0.547 . . . . 74.14 111.942 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -81.19 -37.9 27.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.684 0.278 . . . . 74.2 111.325 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 26.6 mt -60.1 -35.07 74.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.941 0.401 . . . . 74.11 110.503 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 56' ' ' LEU . 67.2 mt -74.25 -47.77 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 73.01 110.95 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -69.4 -29.27 66.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.093 -0.503 . . . . 75.53 111.232 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -84.14 -54.02 5.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.485 -0.325 . . . . 72.53 111.082 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.63 -6.6 54.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.51 -0.314 . . . . 71.11 110.771 179.657 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.12 59.18 1.69 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.353 -0.385 . . . . 74.11 111.091 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 28.1 mt -82.53 -171.99 3.79 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.347 -0.388 . . . . 75.54 110.415 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -156.53 98.74 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.798 0.332 . . . . 70.12 110.793 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.415 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -62.8 -14.89 50.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 73.33 111.861 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -24.43 42.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 74.53 110.522 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -105.62 128.38 53.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.52 . . . . 73.54 110.641 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.36 -27.95 67.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 75.0 111.284 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -55.35 -44.65 76.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 73.41 110.74 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -85.4 -34.92 21.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 65.41 110.514 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -52.54 -49.21 65.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 71.4 110.253 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -30.62 71.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.857 -0.61 . . . . 61.24 110.508 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -44.76 95.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.403 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.425 HD11 HD13 ' A' ' 51' ' ' ILE . 2.2 mt -57.51 -41.31 80.54 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.99 0.424 . . . . 72.34 110.123 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.459 ' CG ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -54.98 -22.16 14.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 75.24 110.357 179.233 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -79.92 -49.58 11.69 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.069 -0.514 . . . . 75.11 111.089 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.1 -41.36 98.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.52 . . . . 75.23 111.619 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.453 ' CE ' HD13 ' A' ' 31' ' ' ILE . 5.7 ptm -55.29 -32.19 62.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.562 0.22 . . . . 72.11 111.065 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 58.4 t -66.19 -62.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.977 0.418 . . . . 73.42 110.494 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.3 t30 -50.98 -18.98 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 64.34 111.162 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.43 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 14.9 t80 -95.27 -51.52 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.536 -0.302 . . . . 74.22 111.399 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.34 -45.6 4.83 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.859 0.688 . . . . 74.13 112.859 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.476 ' HB2' ' HA ' ' A' ' 72' ' ' VAL . 34.8 m-85 -95.89 28.3 3.17 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.051 0.389 . . . . 73.34 112.051 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -68.78 57.92 0.09 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.101 -0.5 . . . . 71.23 111.226 -179.369 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.538 0 C-N-CA 120.583 -0.818 . . . . 72.21 112.769 179.771 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.789 0.328 . . . . 75.42 110.612 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 pt -85.65 -176.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 72.21 111.462 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 7.3 t80 -123.48 99.99 6.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.685 -0.689 . . . . 72.41 109.657 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.0 t -60.56 147.89 39.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.373 -0.376 . . . . 65.22 110.979 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -97.0 -26.22 15.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.674 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -74.43 -40.67 61.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.144 0.497 . . . . 73.04 109.778 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 mt -93.16 -18.9 22.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.587 -0.733 . . . . 73.11 110.516 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 59.2 41.93 19.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.349 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.48 -175.74 4.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.81 -0.632 . . . . 74.21 110.119 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 8.3 tt0 -105.04 115.26 29.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 65.42 110.909 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.64 -177.6 3.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.474 . . . . 73.25 111.169 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.99 -15.91 57.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 72.43 111.471 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.66 172.5 1.21 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.795 -0.716 . . . . 53.22 112.764 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -76.51 -178.59 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 72.41 110.859 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.31 -25.41 5.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 63.02 111.58 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 2.3 p90 -143.6 146.44 33.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.354 . . . . 75.5 111.085 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -72.13 125.25 26.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 75.54 111.118 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 20' ' ' PHE . 1.3 mt -102.38 -36.87 8.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 71.53 111.032 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.735 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -85.99 169.32 15.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 71.5 110.764 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.735 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 4.2 Cg_endo -44.61 -173.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.764 2.976 . . . . 65.33 113.779 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.62 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.518 0.262 0 N-CA-C 115.609 1.004 . . . . 62.31 115.609 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.81 -55.59 33.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.004 0.742 . . . . 61.3 113.004 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 4.5 mt -61.03 -55.7 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.582 -0.447 . . . . 73.23 111.346 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.627 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -53.92 -23.32 22.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.988 -1.101 . . . . 70.33 112.632 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -52.79 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.615 0.245 . . . . 74.43 110.586 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.1 ptp180 -61.04 -36.89 80.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.492 -0.322 . . . . 74.43 110.971 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.582 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 4.4 mt -68.39 -47.61 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-O 121.486 0.66 . . . . 75.33 109.764 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.488 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -69.11 -18.65 64.0 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.217 -0.901 . . . . 75.01 110.38 179.181 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -100.79 -48.08 4.6 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.125 0.787 . . . . 73.34 113.125 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 39.3 mm-40 -97.76 -20.04 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.991 0.737 . . . . 71.44 112.991 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.484 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 16.9 mm -106.59 128.29 61.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.091 0.472 . . . . 72.42 111.131 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.7 p -87.6 179.66 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 70.31 110.375 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -68.3 -28.82 67.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.865 0.364 . . . . 71.22 110.82 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.82 -46.67 84.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.204 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.12 64.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.412 -0.358 . . . . 64.24 111.208 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.44 ' CE3' HG23 ' A' ' 31' ' ' ILE . 67.0 t-105 -60.77 -32.92 72.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.4 . . . . 75.41 110.699 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.48 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 63.23 110.752 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -73.52 -37.6 65.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.131 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' O ' ' N ' ' A' ' 47' ' ' GLN . 21.6 t-105 -67.83 -49.06 64.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.772 -0.649 . . . . 73.42 110.525 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.69 -44.83 38.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 74.45 111.29 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -66.53 -38.68 87.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.959 0.409 . . . . 71.33 110.433 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 49' ' ' MET . 1.6 tppt? -80.98 -19.3 44.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.01 -0.541 . . . . 74.13 110.654 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' TRP . 23.0 tt0 -74.73 -50.0 19.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.307 -0.406 . . . . 75.45 111.124 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -55.28 -36.94 66.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 74.14 111.928 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -73.83 -33.15 64.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.615 0.245 . . . . 74.2 111.294 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 83.8 mt -63.95 -41.56 97.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.971 0.415 . . . . 74.11 110.462 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.499 HD12 HD13 ' A' ' 67' ' ' LEU . 73.8 mt -65.6 -42.68 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.076 -0.511 . . . . 73.01 111.075 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -74.24 -28.91 61.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.165 -0.471 . . . . 75.53 111.11 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -84.9 -54.38 4.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.305 -0.407 . . . . 72.53 111.002 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' CD ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -76.93 -7.61 55.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 71.11 110.827 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt 62.94 63.07 0.98 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.976 0.417 . . . . 74.11 110.872 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 40.1 mt -89.39 -172.18 3.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.009 -0.541 . . . . 75.54 110.645 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -158.53 104.8 1.82 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.417 . . . . 70.12 110.774 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.402 ' HE3' ' CD1' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -61.07 -19.18 61.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 73.33 111.39 -179.543 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -21.71 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 74.53 110.707 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -98.25 134.04 41.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.737 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.15 -24.39 63.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 75.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -36.38 80.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 73.41 111.197 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' A' ' 57' ' ' ASN . 50.7 m170 -85.47 -39.87 17.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 65.41 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -46.65 62.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.011 0.434 . . . . 71.4 110.242 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -70.79 -19.28 62.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.806 -0.634 . . . . 61.24 110.701 179.297 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.81 -38.69 53.47 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.626 -0.509 . . . . 65.44 109.626 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.499 HD13 HD12 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -64.23 -51.61 62.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.647 -0.706 . . . . 72.34 109.892 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 9.7 pt-20 -54.19 -23.73 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.73 -0.668 . . . . 75.24 110.15 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -47.41 45.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.808 -0.633 . . . . 75.11 110.293 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -63.78 -46.36 85.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.889 -0.596 . . . . 75.23 110.472 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.438 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -46.98 -37.03 8.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.763 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' GLU . 89.8 t -58.92 -59.49 3.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.21 0.528 . . . . 73.42 110.262 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 7.5 t30 -52.01 -19.82 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.613 -0.721 . . . . 64.34 111.453 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.447 ' CE1' ' HE2' ' A' ' 46' ' ' LYS . 41.5 t80 -95.17 -48.88 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.572 -0.285 . . . . 74.22 111.745 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.53 -45.99 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.651 0.611 . . . . 74.13 112.651 -178.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.582 ' HZ ' ' HA ' ' A' ' 31' ' ' ILE . 47.3 m-85 -99.75 28.52 4.67 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 112.504 0.557 . . . . 73.34 112.504 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -66.17 55.45 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.933 -0.576 . . . . 71.23 110.988 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.518 0 C-N-CA 120.261 -0.971 . . . . 72.21 114.052 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.818 0.342 . . . . 75.42 110.398 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 pt -81.83 -174.77 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.061 0.458 . . . . 72.21 111.391 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -126.28 102.85 7.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.68 -0.691 . . . . 72.41 109.713 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.668 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 22.9 t -63.46 150.99 42.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.442 -0.344 . . . . 65.22 111.167 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -100.77 -25.27 14.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.355 -0.384 . . . . 74.14 110.684 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 74' ' ' PHE . 40.7 t80 -74.08 -46.16 44.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 73.04 109.897 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.19 -19.17 24.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.771 -0.65 . . . . 73.11 110.443 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 61.82 40.91 12.29 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.129 -0.487 . . . . 71.4 110.362 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -137.36 -172.79 3.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.916 -0.584 . . . . 74.21 110.606 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -107.86 118.15 35.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 65.42 110.486 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.67 169.88 11.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 73.25 111.474 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -12.64 61.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.94 -0.573 . . . . 72.43 111.43 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.33 161.71 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 53.22 112.505 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -76.19 -178.58 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 72.41 110.867 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -117.59 -25.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 63.02 111.416 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -137.13 141.14 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.442 -0.345 . . . . 75.5 111.128 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 32' ' ' TYR . 19.6 tt0 -58.96 111.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 75.54 110.763 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.41 -40.88 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 71.53 111.02 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.731 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -96.32 167.41 12.4 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 71.5 110.205 179.587 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.731 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 20.8 Cg_endo -91.5 -169.96 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.944 2.43 . . . . 65.33 112.694 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.41 -143.0 0.21 Allowed Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.409 -0.814 . . . . 62.31 114.723 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -44.72 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.199 -0.5 . . . . 61.3 111.882 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.447 HD11 ' HE3' ' A' ' 71' ' ' MET . 2.7 mt -49.21 -46.35 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 73.23 110.384 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.587 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -60.02 -34.48 83.71 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.62 -0.8 . . . . 70.33 111.875 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -62.75 -55.36 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.882 0.372 . . . . 74.43 110.213 179.096 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 2.2 ptp180 -57.27 -42.3 81.35 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.86 -0.609 . . . . 74.43 111.573 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.522 HD13 ' HA2' ' A' ' 28' ' ' GLY . 5.8 mt -62.63 -58.19 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 121.436 0.636 . . . . 75.33 109.588 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.433 ' HB2' ' HA ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -60.1 -18.28 45.96 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.073 -0.967 . . . . 75.01 110.566 178.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 51.2 m-20 -97.4 -56.24 2.59 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.777 0.658 . . . . 73.34 112.777 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.668 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.1 mm-40 -94.51 -20.84 19.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.533 0.568 . . . . 71.44 112.533 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mm -102.28 135.56 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.885 0.374 . . . . 72.42 110.756 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -100.95 175.5 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 70.31 111.183 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -59.22 -40.85 87.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 71.22 110.768 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.25 -44.89 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 72.33 110.731 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -37.41 72.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 64.24 111.014 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.42 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 34.7 t-105 -64.63 -37.05 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.41 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.65 -19.59 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 63.23 110.923 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -83.33 -27.72 29.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.337 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.484 ' CZ2' ' HG ' ' A' ' 67' ' ' LEU . 24.4 t-105 -81.87 -52.19 7.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.133 -0.485 . . . . 73.42 109.995 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -48.6 -42.64 34.58 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.065 -0.516 . . . . 74.45 110.756 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 48' ' ' THR . 32.8 t60 -65.28 -29.59 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.143 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 49' ' ' MET . 5.8 tptm -86.44 -21.21 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 74.13 110.536 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -68.7 -47.33 66.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 75.45 110.406 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 45' ' ' HIS . 8.8 t -57.74 -44.75 86.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 74.14 111.665 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 3.9 ptp -72.09 -42.22 66.39 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 111.733 0.271 . . . . 74.2 111.733 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 59.5 mt -57.9 -44.54 86.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 74.11 110.614 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.47 -38.94 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.114 -0.494 . . . . 73.01 110.964 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -76.54 -30.9 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 75.53 111.297 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -85.57 -54.29 4.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.605 -0.271 . . . . 72.53 110.903 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.95 -8.85 57.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.472 -0.331 . . . . 71.11 110.6 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 62.77 63.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.409 . . . . 74.11 110.838 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' HA ' ' ND1' ' A' ' 63' ' ' HIS . 72.9 mt -91.29 -174.93 4.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 75.54 110.429 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -152.28 106.16 3.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.402 . . . . 70.12 110.984 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.481 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.11 -20.96 28.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 73.33 111.22 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -21.13 35.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.535 -0.302 . . . . 74.53 110.812 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -96.38 130.1 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 73.54 110.801 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.25 95.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 75.0 111.37 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -36.51 66.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 73.41 110.991 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.404 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 27.0 m170 -85.3 -36.73 20.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.035 -0.529 . . . . 65.41 110.729 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.521 ' HA ' HH11 ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.26 -45.51 83.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.021 0.439 . . . . 71.4 110.098 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -73.72 -17.81 61.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.795 -0.639 . . . . 61.24 110.474 179.275 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -39.47 67.29 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.458 -0.571 . . . . 65.44 109.458 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.484 ' HG ' ' CZ2' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -64.33 -52.06 60.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 72.34 109.813 179.118 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 7.2 pt-20 -55.92 -24.36 37.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.764 -0.653 . . . . 75.24 110.093 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -70.59 -43.83 68.59 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.76 -0.655 . . . . 75.11 110.539 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.91 -39.07 66.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.028 -0.533 . . . . 75.23 110.654 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.539 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -50.46 -37.11 36.66 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.336 -0.393 . . . . 72.11 110.885 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.455 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 84.2 t -61.35 -60.84 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 CA-C-O 121.036 0.446 . . . . 73.42 110.167 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 2.0 t-20 -50.41 -19.06 0.75 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 64.34 111.003 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CE2' ' CZ ' ' A' ' 10' ' ' PHE . 24.4 t80 -95.02 -50.43 5.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 74.22 111.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.24 -48.57 3.97 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.392 0.516 . . . . 74.13 112.392 -178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 41.3 m-85 -93.91 28.66 2.33 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.941 0.4 . . . . 73.34 112.068 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.7 tt0 -66.94 60.25 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.729 -0.668 . . . . 71.23 110.804 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.567 0 C-N-CA 120.66 -0.781 . . . . 72.21 112.772 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.687 0.279 . . . . 75.42 110.733 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.1 pt -84.3 -176.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 72.21 111.192 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -121.74 98.96 6.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 72.41 109.991 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.7 t -60.82 148.4 39.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 65.22 110.842 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.6 t -98.04 -25.15 15.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 74.14 110.765 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -74.26 -43.99 54.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.034 0.445 . . . . 73.04 109.827 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 mt -89.67 -21.52 22.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.756 -0.656 . . . . 73.11 110.423 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 62.84 40.66 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 71.4 110.364 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.83 -177.28 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.893 -0.594 . . . . 74.21 110.175 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -100.37 110.48 22.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.812 0.339 . . . . 65.42 110.665 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.82 170.87 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 73.25 111.509 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -63.59 -27.55 69.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.026 -0.534 . . . . 72.43 111.163 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.94 161.22 6.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.899 -0.667 . . . . 53.22 112.674 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -64.54 -179.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 72.41 110.994 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.39 -28.04 6.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 63.02 110.804 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' A' ' 22' ' ' LEU . 21.1 p90 -146.33 153.05 40.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 75.5 110.747 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 48.2 tt0 -62.27 124.33 20.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 75.54 111.044 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' N ' HD13 ' A' ' 22' ' ' LEU . 10.6 mp -92.45 -41.11 10.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.53 111.022 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.615 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -93.04 167.75 13.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 71.5 110.04 179.473 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.9 Cg_endo -90.93 -172.06 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.69 2.26 . . . . 65.33 112.798 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.47 -142.92 0.96 Allowed Glycine 0 N--CA 1.453 -0.229 0 CA-C-N 115.433 -0.803 . . . . 62.31 114.374 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.28 -35.63 30.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.245 -0.478 . . . . 61.3 111.38 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.699 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -53.88 -49.45 68.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.038 -0.528 . . . . 73.23 110.858 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.615 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -61.54 -32.51 81.52 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.13 -1.033 . . . . 70.33 111.657 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 42.9 mttt -66.11 -43.38 87.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.686 0.279 . . . . 74.43 110.323 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.7 ptp180 -69.9 -39.81 76.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.42 -0.355 . . . . 74.43 111.161 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.467 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 6.6 mt -62.82 -52.92 53.54 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 121.592 0.71 . . . . 75.33 109.761 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -17.99 58.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.848 -1.069 . . . . 75.01 110.218 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 1.6 m-80 -97.19 -50.72 4.47 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.554 0.576 . . . . 73.34 112.554 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.1 mm-40 -98.94 -15.42 19.14 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.987 0.736 . . . . 71.44 112.987 -177.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 31' ' ' ILE . 19.4 mm -112.11 106.58 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.844 0.354 . . . . 72.42 111.373 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 t -68.54 176.82 2.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 70.31 110.71 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -66.15 -29.3 69.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 71.22 111.077 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -44.37 76.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 72.33 111.116 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.58 -35.01 67.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.43 -0.35 . . . . 64.24 111.15 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.5 t-105 -63.45 -33.88 76.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.35 -0.386 . . . . 75.41 110.754 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.4 -27.12 68.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 63.23 110.798 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -78.46 -33.85 48.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.114 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.536 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 31.4 t-105 -75.66 -51.93 11.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 73.42 110.244 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -48.91 -36.7 17.84 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.13 0.49 . . . . 74.45 110.249 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.445 ' O ' HG22 ' A' ' 48' ' ' THR . 18.7 t60 -70.25 -29.69 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.672 -0.695 . . . . 71.33 110.336 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -85.56 -25.91 26.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.236 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.53 -48.15 65.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.0 -0.545 . . . . 75.45 110.406 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 45' ' ' HIS . 7.0 t -54.01 -45.44 71.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 74.14 111.286 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.3 ptp -72.09 -41.96 66.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.67 0.271 . . . . 74.2 110.748 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.635 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 27.2 mt -57.59 -30.15 65.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.358 . . . . 74.11 110.368 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.528 ' CG1' HD21 ' A' ' 67' ' ' LEU . 96.2 mt -84.85 -39.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 73.01 111.148 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -73.66 -31.84 63.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.499 . . . . 75.53 111.46 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.01 -54.35 4.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.594 -0.276 . . . . 72.53 111.407 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.15 -8.74 55.56 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.725 0.297 . . . . 71.11 110.932 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt 67.72 58.81 0.49 Allowed 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.863 0.363 . . . . 74.11 110.938 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 51' ' ' ILE . 77.2 mt -96.45 -172.31 2.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 75.54 110.367 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -156.48 122.18 4.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.866 0.365 . . . . 70.12 110.634 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -13.17 62.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.33 111.461 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -26.68 24.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 74.53 110.435 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -90.27 112.45 24.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 73.54 110.685 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.25 -29.26 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 75.0 111.325 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.67 -37.17 86.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.846 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.438 ' CG ' HD21 ' A' ' 56' ' ' LEU . 49.5 m170 -85.22 -34.56 21.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 65.41 110.798 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -53.21 -45.89 68.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.838 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -28.06 66.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 61.24 110.849 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.56 -46.73 73.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.743 0.306 . . . . 65.44 110.226 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.528 HD21 ' CG1' ' A' ' 51' ' ' ILE . 3.7 mm? -58.5 -47.46 84.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.38 -0.6 . . . . 72.34 109.38 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.667 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 2.5 tt0 -52.08 -23.51 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.304 -0.862 . . . . 75.24 110.211 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -81.21 -50.42 9.6 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.619 -0.718 . . . . 75.11 111.33 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.86 -30.85 62.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.822 0.344 . . . . 75.23 110.84 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.536 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -51.17 -50.31 59.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.264 -0.426 . . . . 72.11 111.117 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.519 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 65.0 t -50.97 -57.99 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 73.42 110.312 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -51.96 -21.29 2.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 64.34 111.107 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -94.83 -51.27 4.76 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.996 0.369 . . . . 74.22 111.996 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.13 -46.27 4.68 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.425 0.528 . . . . 74.13 112.425 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.519 ' HB2' ' HA ' ' A' ' 72' ' ' VAL . 87.2 m-85 -95.49 28.18 3.06 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.48 0.548 . . . . 73.34 112.48 -178.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' VAL . 14.6 tt0 -68.25 58.41 0.08 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.028 0.442 . . . . 71.23 110.413 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.679 0 CA-C-N 115.843 -0.617 . . . . 72.21 112.298 -179.783 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.78 0.324 . . . . 75.42 111.134 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 pt -82.71 -176.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 72.21 111.047 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -121.28 99.55 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.877 -0.601 . . . . 72.41 109.864 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 1.4 p -59.0 142.71 50.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 65.22 110.606 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -98.28 -24.18 15.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.445 -0.343 . . . . 74.14 111.178 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -74.48 -41.79 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.727 -0.471 . . . . 73.04 109.727 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.88 -11.35 28.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 73.11 110.843 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 56.19 44.5 24.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.984 0.421 . . . . 71.4 110.195 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -142.02 -169.02 2.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 74.21 110.728 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -106.31 116.63 32.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 65.42 110.87 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.88 161.12 22.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.379 . . . . 73.25 111.156 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.25 -16.46 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.27 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.98 176.76 8.23 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.672 -0.775 . . . . 53.22 112.603 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -91.0 169.56 10.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 72.41 110.883 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -102.49 -31.39 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 63.02 111.079 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.436 ' O ' HD23 ' A' ' 22' ' ' LEU . 11.7 p90 -134.75 144.77 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 75.5 110.958 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 33.4 tt0 -61.42 133.46 55.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.399 -0.364 . . . . 75.54 110.853 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 20' ' ' PHE . 15.4 mt -95.6 -41.63 8.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 71.53 111.411 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -95.1 169.21 9.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 71.5 110.404 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 12.0 Cg_endo -94.58 -168.02 0.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.969 2.446 . . . . 65.33 112.886 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 39.75 -145.14 0.33 Allowed Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.393 -0.821 . . . . 62.31 114.515 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -81.26 -34.55 32.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.148 -0.526 . . . . 61.3 111.396 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.733 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -58.46 -46.94 85.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 73.23 110.375 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.587 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -59.49 -28.63 65.22 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.021 -1.085 . . . . 70.33 111.741 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -70.3 -39.71 74.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.669 0.271 . . . . 74.43 110.778 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.733 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.0 ptm85 -72.56 -38.28 67.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.509 -0.314 . . . . 74.43 111.192 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.487 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 5.2 mt -64.07 -52.76 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.477 0.656 . . . . 75.33 109.903 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -18.12 58.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.005 -0.998 . . . . 75.01 110.333 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -99.91 -53.35 3.19 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.962 0.727 . . . . 73.34 112.962 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 13.9 mt-10 -94.48 -20.23 19.86 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.741 0.645 . . . . 71.44 112.741 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.435 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 23.6 mm -104.31 126.43 59.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.948 0.404 . . . . 72.42 110.739 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.2 p -91.83 176.97 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.913 -0.585 . . . . 70.31 110.868 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -61.58 -36.02 79.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.905 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.23 95.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.992 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.26 -50.68 30.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 64.24 111.003 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.431 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 51.2 t-105 -53.01 -43.91 66.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.575 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.56 -29.12 61.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 63.23 110.769 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -77.82 -29.29 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 75.14 110.23 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' GLN . 28.8 t-105 -75.66 -47.94 24.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.857 -0.61 . . . . 73.42 110.57 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 9.1 mm100 -46.88 -46.41 21.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.398 . . . . 74.45 110.756 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -61.78 -52.39 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.926 -0.579 . . . . 71.33 110.592 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.506 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 10.3 tptp -68.88 -20.48 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.13 111.027 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.476 ' HG2' HD12 ' A' ' 51' ' ' ILE . 1.4 tt0 -74.37 -54.49 7.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.893 0.377 . . . . 75.45 111.216 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -54.04 -33.18 56.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 74.14 111.957 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -81.07 -40.18 24.56 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.073 -0.251 . . . . 74.2 111.273 -179.55 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 41.5 mt -55.75 -43.35 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 74.11 110.383 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.7 mt -67.33 -38.26 80.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.966 -0.561 . . . . 73.01 110.797 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -73.25 -32.57 64.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.077 -0.51 . . . . 75.53 111.032 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.17 -54.35 4.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.423 -0.353 . . . . 72.53 111.201 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -73.77 -10.44 59.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.722 0.296 . . . . 71.11 111.004 179.656 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? 68.07 60.42 0.42 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.893 0.377 . . . . 74.11 110.854 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.538 HD13 ' HG ' ' A' ' 67' ' ' LEU . 53.0 mt -92.21 178.41 5.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.246 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -155.65 102.68 2.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.983 0.421 . . . . 70.12 110.881 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.402 ' HE3' ' CD1' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -58.74 -18.74 34.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.783 -0.644 . . . . 73.33 111.49 -179.739 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -21.49 44.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 74.53 110.662 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.4 120.23 40.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.292 -0.413 . . . . 73.54 110.579 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.97 -23.94 55.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.498 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.62 -40.34 95.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 73.41 110.995 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 42.8 m170 -85.52 -35.72 20.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.144 -0.48 . . . . 65.41 110.787 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -46.64 54.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 71.4 110.625 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -66.41 -22.49 66.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.845 -0.616 . . . . 61.24 110.771 179.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -42.66 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 65.44 109.919 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.538 ' HG ' HD13 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -60.36 -50.03 75.23 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.017 -0.538 . . . . 72.34 109.812 179.125 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 8.6 pt-20 -55.22 -23.49 22.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.692 -0.685 . . . . 75.24 110.391 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -46.68 31.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.861 -0.609 . . . . 75.11 110.645 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.7 -41.83 87.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.897 -0.592 . . . . 75.23 111.086 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 23' ' ' TYR . 4.0 ptm -47.32 -35.4 7.96 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.42 -0.354 . . . . 72.11 110.962 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 76' ' ' PHE . 99.9 t -64.39 -59.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.993 0.425 . . . . 73.42 110.27 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.2 t30 -51.09 -19.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 64.34 111.296 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -95.19 -49.66 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.273 . . . . 74.22 111.567 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.57 -43.41 5.38 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.913 0.709 . . . . 74.13 112.913 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.487 ' HZ ' ' HA ' ' A' ' 31' ' ' ILE . 74.9 m-85 -101.45 27.83 5.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.859 0.689 . . . . 73.34 112.859 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -68.97 58.54 0.1 Allowed 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 116.442 -0.345 . . . . 71.23 110.858 -179.758 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 C-N-CA 120.471 -0.871 . . . . 72.21 113.556 179.715 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.758 0.313 . . . . 75.42 110.865 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.5 pt -139.62 176.12 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 72.21 110.616 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -110.39 98.89 8.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.266 -0.425 . . . . 72.41 110.091 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 36.2 t -65.42 144.06 57.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 65.22 110.873 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 t -97.15 -21.12 17.51 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.725 0.298 . . . . 74.14 111.009 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -74.29 -46.26 42.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.976 0.417 . . . . 73.04 110.023 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -15.02 31.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 73.11 110.692 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 60.73 42.05 14.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.017 0.437 . . . . 71.4 109.848 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.24 -173.75 4.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.689 . . . . 74.21 110.129 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.17 115.81 31.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 65.42 110.847 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.98 164.07 28.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.06 -0.518 . . . . 73.25 110.923 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.26 158.58 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 72.43 110.756 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.23 167.64 12.77 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.726 -0.75 . . . . 53.22 112.451 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.92 149.62 30.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 72.41 110.809 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.04 -27.45 43.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 63.02 111.445 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.406 ' O ' HD12 ' A' ' 22' ' ' LEU . 11.0 p90 -141.33 138.85 33.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 75.5 111.349 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 51.2 tt0 -59.53 121.26 11.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.486 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.411 HD22 ' NE1' ' A' ' 40' ' ' TRP . 5.3 mp -83.11 -41.9 18.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 71.53 111.857 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.596 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.66 169.17 12.39 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.658 0.266 . . . . 71.5 110.451 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 14.4 Cg_endo -92.98 -172.99 0.37 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.893 2.395 . . . . 65.33 112.929 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.3 -144.81 0.13 Allowed Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.196 -0.911 . . . . 62.31 114.595 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.29 -37.16 53.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.22 -0.49 . . . . 61.3 111.395 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.667 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -51.19 -52.95 39.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 73.23 110.805 -179.633 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.596 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -57.72 -33.87 68.92 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.162 -1.018 . . . . 70.33 111.762 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -63.35 -52.83 60.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.52 0.2 . . . . 74.43 110.603 179.272 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 10.6 ptp180 -59.99 -40.83 90.51 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.609 -0.269 . . . . 74.43 110.871 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.55 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 8.0 mt -64.6 -59.66 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.276 0.56 . . . . 75.33 110.154 179.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -54.96 -18.34 4.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.409 -0.814 . . . . 75.01 110.366 178.745 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 28.8 m-20 -100.1 -48.48 4.62 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.152 0.797 . . . . 73.34 113.152 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 1.2 mm-40 -98.41 -23.5 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.746 0.647 . . . . 71.44 112.746 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.451 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 18.9 mm -104.46 98.97 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 72.42 111.022 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.5 p -58.81 173.67 0.41 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.137 -0.483 . . . . 70.31 111.007 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -61.19 -35.51 77.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 71.22 110.677 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.76 -48.66 78.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 72.33 110.817 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.3 -31.88 70.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 64.24 110.578 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CZ3' ' CD1' ' A' ' 43' ' ' TRP . 52.2 t-105 -69.95 -38.38 76.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.543 . . . . 75.41 110.322 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.9 -28.46 70.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 63.23 110.535 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -74.88 -28.94 60.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 75.14 109.954 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 27.5 t-105 -77.55 -52.05 9.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 73.42 110.581 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.28 -40.72 17.44 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.961 0.41 . . . . 74.45 110.49 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -66.46 -39.4 88.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.824 -0.626 . . . . 71.33 110.061 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -78.28 -20.37 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.989 -0.551 . . . . 74.13 110.393 179.419 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 43' ' ' TRP . 22.4 tt0 -72.1 -48.29 44.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 75.45 110.276 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.6 t -55.61 -38.52 69.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.017 -0.538 . . . . 74.14 111.584 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.503 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -79.37 -37.1 38.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.81 0.338 . . . . 74.2 110.37 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 44.9 mt -64.33 -33.37 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.233 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.3 mt -80.91 -39.63 17.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 73.01 110.759 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.95 -30.36 61.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 75.53 111.091 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -86.19 -54.32 4.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.588 -0.278 . . . . 72.53 111.532 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -72.34 -8.08 52.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.595 0.236 . . . . 71.11 111.089 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 13.3 mmtp 65.62 61.09 0.69 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.805 0.336 . . . . 74.11 111.404 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.5 mt -93.45 -179.02 4.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.493 -0.321 . . . . 75.54 110.231 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -151.13 105.5 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 70.12 110.986 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -23.71 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 73.33 111.413 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -20.24 46.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.519 -0.309 . . . . 74.53 111.259 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.53 118.15 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.811 0.339 . . . . 73.54 110.719 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.24 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 75.0 110.879 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -39.12 66.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 73.41 111.149 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -85.13 -41.33 15.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 65.41 110.404 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -43.75 61.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.589 . . . . 71.4 110.349 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -64.29 -31.21 72.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 61.24 110.088 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -46.79 87.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.001 -0.545 . . . . 65.44 110.168 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' HG ' ' CZ2' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -58.14 -42.0 84.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 72.34 109.839 179.131 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.476 ' HA ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -63.3 -20.05 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 75.24 109.868 178.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -79.32 -47.51 15.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.935 -0.575 . . . . 75.11 110.718 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -73.08 -38.43 66.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 75.23 111.23 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 68' ' ' GLU . 3.1 ptm -49.09 -39.73 29.17 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.587 -0.279 . . . . 72.11 111.216 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.436 ' CG1' ' HB2' ' A' ' 76' ' ' PHE . 68.9 t -62.87 -57.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.957 0.408 . . . . 73.42 110.585 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.451 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -52.83 -18.63 1.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.549 . . . . 64.34 111.486 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -95.25 -49.55 5.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.697 0.284 . . . . 74.22 111.59 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.68 -44.85 4.97 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.988 0.736 . . . . 74.13 112.988 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.55 ' HZ ' ' HA ' ' A' ' 31' ' ' ILE . 44.7 m-85 -100.1 28.58 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.784 0.661 . . . . 73.34 112.784 -178.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 4.9 tt0 -66.35 60.01 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.081 0.467 . . . . 71.23 111.019 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.449 -0.48 0 CA-C-N 115.765 -0.652 . . . . 72.21 112.216 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 CA--C 1.524 -0.04 0 CA-C-O 120.881 0.372 . . . . 75.42 110.292 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.0 pt -81.2 -175.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 72.21 111.348 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 17.2 t80 -115.46 101.65 9.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 72.41 110.215 179.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 35.9 t -65.1 144.49 57.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.522 -0.308 . . . . 65.22 110.279 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.8 t -99.24 -21.97 15.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.658 0.265 . . . . 74.14 111.064 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -74.69 -44.73 48.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.001 0.429 . . . . 73.04 110.072 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mt -89.39 -13.27 38.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 73.11 110.777 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 60.9 40.68 15.34 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.902 0.382 . . . . 71.4 110.367 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.76 -168.2 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 74.21 110.447 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.7 tt0 -107.8 118.94 38.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 65.42 110.61 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.91 165.39 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.939 0.399 . . . . 73.25 111.33 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.35 171.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 72.43 110.749 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.12 179.99 16.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.587 -0.816 . . . . 53.22 112.517 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.51 142.96 26.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.716 0.293 . . . . 72.41 111.06 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.69 -31.52 65.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 63.02 111.178 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -130.12 140.73 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.5 110.985 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.3 134.67 57.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.82 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.501 HD12 ' NE1' ' A' ' 40' ' ' TRP . 10.5 mt -90.59 -43.96 9.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 71.53 111.169 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -92.15 171.43 7.71 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.52 -0.309 . . . . 71.5 110.239 179.296 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.559 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 13.3 Cg_endo -94.0 -174.59 0.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.195 2.597 . . . . 65.33 113.1 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 35.6 -144.15 0.09 OUTLIER Glycine 0 C--N 1.332 0.312 0 CA-C-N 115.263 -0.88 . . . . 62.31 114.814 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -39.94 62.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.373 -0.414 . . . . 61.3 111.277 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.733 ' HG ' ' CG ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -48.03 -55.11 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.982 -0.554 . . . . 73.23 110.968 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.568 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -60.12 -28.44 66.53 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.341 -0.933 . . . . 70.33 111.988 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -60.38 -56.45 21.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 74.43 110.343 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.71 -37.94 86.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.569 . . . . 74.43 111.554 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.556 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 7.2 mt -65.07 -63.24 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-O 121.467 0.651 . . . . 75.33 109.998 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -54.2 -18.27 3.69 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.152 -0.931 . . . . 75.01 110.109 178.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -97.86 -51.32 4.11 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.942 0.719 . . . . 73.34 112.942 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.568 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 72.1 mm-40 -97.84 -20.23 17.64 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.918 0.71 . . . . 71.44 112.918 -177.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.45 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 16.8 mm -101.43 115.42 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.754 0.311 . . . . 72.42 110.752 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.7 p -81.44 171.65 14.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 70.31 111.263 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -60.03 -33.17 71.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 71.22 110.893 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -48.31 81.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.875 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.32 -42.55 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.24 110.932 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.51 ' CZ3' HG22 ' A' ' 31' ' ' ILE . 40.3 t-105 -56.26 -41.31 75.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 75.41 110.262 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.67 80.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.955 -0.566 . . . . 63.23 110.496 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -67.19 -33.98 76.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 75.14 110.168 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.478 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 20.0 t-105 -71.54 -51.66 22.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.817 -0.629 . . . . 73.42 110.373 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -48.15 -40.24 23.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.921 0.391 . . . . 74.45 110.655 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.43 ' O ' HG22 ' A' ' 48' ' ' THR . 30.0 t60 -64.89 -40.82 95.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 71.33 110.556 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 49' ' ' MET . 5.8 tptp -80.96 -19.8 43.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.027 0.441 . . . . 74.13 110.434 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' TRP . 43.3 tt0 -70.02 -52.45 24.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.834 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 45' ' ' HIS . 14.6 t -53.67 -42.93 68.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.099 -0.5 . . . . 74.14 111.792 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -74.31 -35.78 63.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.726 0.298 . . . . 74.2 110.952 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.647 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 21.3 mt -60.14 -30.67 69.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 74.11 110.355 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.531 HD11 HD12 ' A' ' 67' ' ' LEU . 69.2 mt -82.46 -42.96 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 73.01 110.949 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -72.36 -33.95 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 75.53 111.61 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -81.09 -51.23 8.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.634 0.254 . . . . 72.53 111.074 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.647 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -74.41 -6.37 47.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.447 -0.342 . . . . 71.11 110.748 179.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.77 59.01 1.19 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 120.889 0.376 . . . . 74.11 110.541 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.515 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 72.0 mt -92.75 -178.7 4.93 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.552 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.91 105.6 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.975 0.417 . . . . 70.12 110.728 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.432 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.75 -18.52 21.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.832 -0.622 . . . . 73.33 111.785 -179.577 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.22 -25.58 42.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 74.53 111.012 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -95.92 121.91 38.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 73.54 110.753 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.26 65.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 75.0 111.413 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -67.48 -36.37 81.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.458 -0.337 . . . . 73.41 111.169 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.417 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 26.3 m170 -85.39 -37.62 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 65.41 110.461 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -55.17 -45.15 75.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 71.4 110.25 179.515 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -63.62 -26.51 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.929 -0.578 . . . . 61.24 109.965 179.14 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD22 HD13 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -64.56 -47.37 78.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.091 -0.504 . . . . 65.44 110.049 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD12 HD11 ' A' ' 51' ' ' ILE . 3.5 mt -52.57 -42.26 64.33 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.331 -0.618 . . . . 72.34 109.331 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.733 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -55.54 -24.36 31.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.948 -1.024 . . . . 75.24 110.763 179.378 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -80.25 -47.4 14.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.967 -0.56 . . . . 75.11 111.051 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.62 -46.24 86.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 75.23 111.446 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.416 ' SD ' ' CE2' ' A' ' 23' ' ' TYR . 2.4 ptm -45.32 -36.41 4.1 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.743 0.306 . . . . 72.11 111.156 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 76' ' ' PHE . 37.8 t -63.33 -61.93 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.958 0.409 . . . . 73.42 110.526 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.29 -20.24 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 64.34 111.585 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -94.91 -50.44 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.609 0.243 . . . . 74.22 111.633 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mt -103.25 -42.96 5.58 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.797 0.665 . . . . 74.13 112.797 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.556 ' HZ ' ' HA ' ' A' ' 31' ' ' ILE . 56.6 m-85 -101.71 28.62 5.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.41 0.522 . . . . 73.34 112.41 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.1 tm-20 -65.33 41.18 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.901 0.381 . . . . 71.23 111.655 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.445 -0.767 0 C-N-CA 121.336 -0.459 . . . . 72.21 112.057 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.852 0.358 . . . . 75.42 110.698 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.0 pt -79.72 -175.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.21 111.407 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -123.91 100.46 6.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 72.41 109.852 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 31.1 t -59.27 146.18 40.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 65.22 110.865 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 t -97.23 -27.05 14.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 74.14 111.157 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 48.2 t80 -74.57 -40.15 61.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.097 0.475 . . . . 73.04 110.105 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.71 -13.38 22.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.618 -0.719 . . . . 73.11 110.859 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 54.89 43.37 30.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.249 -0.432 . . . . 71.4 110.677 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -138.5 -169.13 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.249 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.48 119.02 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.396 . . . . 65.42 110.947 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.8 167.5 15.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 73.25 111.096 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -10.68 59.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 72.43 111.492 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.27 -174.1 10.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.615 -0.802 . . . . 53.22 112.566 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.53 177.48 5.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.74 0.305 . . . . 72.41 110.973 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.72 -23.66 8.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.315 -0.402 . . . . 63.02 111.54 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CE2' HD12 ' A' ' 22' ' ' LEU . 4.1 p90 -141.65 138.42 32.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.827 0.346 . . . . 75.5 110.914 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' NE2' ' HA2' ' A' ' 25' ' ' GLY . 9.4 tt0 -67.49 120.77 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.241 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD12 ' CE2' ' A' ' 20' ' ' PHE . 8.5 mp -94.84 -39.1 10.42 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.15 -0.477 . . . . 71.53 110.554 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.74 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -84.03 169.06 18.19 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.576 -0.738 . . . . 71.5 110.76 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.74 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 2.1 Cg_endo -42.68 -177.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.877 3.052 . . . . 65.33 113.098 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.503 ' HA2' ' NE2' ' A' ' 21' ' ' GLN . . . -81.11 -52.5 4.27 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.798 -0.715 . . . . 62.31 114.644 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.55 -54.64 42.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.981 0.419 . . . . 61.3 111.016 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -84.2 -51.37 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.266 0.839 . . . . 73.23 113.266 -178.18 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -44.32 -27.99 1.32 Allowed Glycine 0 C--O 1.23 -0.14 0 C-N-CA 120.525 -0.845 . . . . 70.33 113.687 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -58.0 -60.3 3.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.857 0.328 . . . . 74.43 110.969 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -57.28 -38.78 74.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.49 -0.323 . . . . 74.43 111.538 -179.616 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.512 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 4.0 mt -66.5 -58.26 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.097 0.475 . . . . 75.33 110.284 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -61.17 -19.17 61.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.543 -0.753 . . . . 75.01 111.075 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 53.8 m-20 -100.86 -49.36 4.17 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.994 0.739 . . . . 73.34 112.994 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.644 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.4 mm-40 -94.9 -25.36 16.6 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.993 0.738 . . . . 71.44 112.993 -177.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.553 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 20.4 mm -100.13 109.81 25.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.984 0.421 . . . . 72.42 111.003 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.5 p -70.41 177.9 3.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.821 -0.627 . . . . 70.31 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -64.7 -34.48 78.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.399 . . . . 71.22 111.033 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.14 -50.69 69.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 72.33 110.826 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.52 -33.74 76.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 64.24 110.698 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.442 ' CZ3' HG23 ' A' ' 31' ' ' ILE . 49.9 t-105 -68.62 -38.26 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.797 -0.638 . . . . 75.41 110.64 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.56 -22.08 66.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 63.23 110.845 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -83.2 -25.68 31.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.291 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.474 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 18.3 t-105 -81.53 -49.27 10.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.895 -0.593 . . . . 73.42 110.35 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -48.69 -42.09 33.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.593 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -61.03 -43.34 99.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.132 -0.486 . . . . 71.33 109.914 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 49' ' ' MET . 13.0 tptt -74.71 -21.34 59.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 74.13 110.6 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -70.36 -54.04 14.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 75.45 110.652 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 49' ' ' MET . 12.7 t -53.64 -38.94 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 74.14 111.813 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.468 ' N ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -79.62 -43.69 22.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.594 0.235 . . . . 74.2 111.39 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 25.3 mt -55.18 -37.59 67.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.408 . . . . 74.11 110.665 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.435 ' CG1' HD11 ' A' ' 67' ' ' LEU . 83.3 mt -74.49 -39.1 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.009 -0.542 . . . . 73.01 111.253 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -76.73 -29.27 56.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.353 -0.385 . . . . 75.53 111.156 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -86.17 -53.43 5.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.474 -0.33 . . . . 72.53 111.249 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -74.17 -9.47 58.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.413 -0.358 . . . . 71.11 110.713 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.17 63.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 74.11 110.67 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' A' ' 66' ' ' LEU . 52.5 mt -93.85 -173.89 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 75.54 110.905 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -155.51 103.61 2.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 70.12 110.384 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.409 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.17 -21.83 35.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 73.33 111.374 -179.608 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -19.96 47.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.698 0.285 . . . . 74.53 110.835 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -98.77 124.66 43.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 73.54 110.767 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.78 -32.81 73.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.198 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -37.34 82.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 73.41 111.014 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -85.34 -38.72 18.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 65.41 110.79 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.92 -45.95 64.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.36 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -68.82 -22.37 64.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.925 -0.579 . . . . 61.24 110.418 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.403 ' CD2' HD22 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -68.96 -37.42 78.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.062 0.458 . . . . 65.44 109.867 179.315 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.456 ' HG ' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -67.79 -47.29 69.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.884 -0.598 . . . . 72.34 109.711 179.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.486 ' CA ' ' HE3' ' A' ' 71' ' ' MET . 3.3 pt-20 -60.08 -23.47 63.81 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.708 -0.678 . . . . 75.24 109.976 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -75.23 -46.55 33.1 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.816 -0.629 . . . . 75.11 110.317 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.0 -43.2 75.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.484 . . . . 75.23 110.542 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.486 ' HE3' ' CA ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -47.89 -46.27 31.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.07 -0.514 . . . . 72.11 111.256 -179.771 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.53 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 88.7 t -53.78 -57.98 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 121.222 0.534 . . . . 73.42 110.054 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -51.14 -20.21 1.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.629 -0.714 . . . . 64.34 111.033 179.228 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -95.16 -50.06 5.23 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.343 -0.39 . . . . 74.22 111.426 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -103.26 -46.9 4.47 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.297 0.48 . . . . 74.13 112.297 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 95.1 m-85 -94.92 28.02 2.9 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 112.124 0.416 . . . . 73.34 112.124 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.0 tt0 -68.38 58.6 0.08 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.072 0.463 . . . . 71.23 110.826 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 C-N-CA 121.081 -0.58 . . . . 72.21 112.321 -179.861 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.849 0.357 . . . . 75.42 110.552 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 pt -79.4 -173.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.059 -0.519 . . . . 72.21 111.375 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -119.39 103.8 9.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.762 -0.654 . . . . 72.41 110.133 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.642 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 43.3 t -67.61 148.45 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.374 . . . . 65.22 110.591 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.0 t -97.67 -21.85 16.78 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.846 0.355 . . . . 74.14 111.156 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 46.4 t80 -74.19 -48.52 28.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.034 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -15.2 33.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 73.11 110.627 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 60.34 41.38 16.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 71.4 110.372 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.02 -170.98 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 74.21 110.352 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -104.6 114.87 29.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.442 -0.344 . . . . 65.42 110.904 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.01 168.62 19.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 73.25 111.143 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.38 176.71 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.724 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.76 168.73 21.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.674 -0.774 . . . . 53.22 112.519 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 1.7 mp0 -86.84 149.37 24.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.868 0.366 . . . . 72.41 110.702 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.19 -27.09 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 63.02 111.539 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -131.37 133.27 45.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.39 . . . . 75.5 111.239 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 38.1 tt0 -59.52 118.66 6.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 75.54 110.966 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.72 -43.92 57.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.128 -0.487 . . . . 71.53 111.403 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -95.69 166.08 15.29 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 71.5 110.476 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -92.95 -169.59 0.24 Allowed 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.879 2.386 . . . . 65.33 112.971 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.3 -146.09 0.15 Allowed Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.229 -0.896 . . . . 62.31 114.493 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -75.79 -39.87 56.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.329 -0.436 . . . . 61.3 111.295 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.84 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -50.81 -54.02 27.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.982 -179.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.6 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -58.5 -30.68 65.46 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.519 -0.848 . . . . 70.33 112.671 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -43.73 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.623 0.249 . . . . 74.43 111.234 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.84 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.7 ptm180 -69.72 -37.98 76.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 74.43 111.286 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.572 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 5.0 mt -64.47 -59.67 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.551 0.691 . . . . 75.33 109.823 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' HB2' ' HA ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -56.11 -18.51 10.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.882 -1.054 . . . . 75.01 111.182 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -100.41 -55.16 2.67 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.857 0.688 . . . . 73.34 112.857 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.642 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 61.3 mm-40 -95.12 -17.81 21.49 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.751 0.649 . . . . 71.44 112.751 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.592 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 21.8 mm -104.02 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.021 0.439 . . . . 72.42 110.889 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.9 p -59.78 -174.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.64 -0.709 . . . . 70.31 111.039 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -73.13 -35.0 66.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.405 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.53 -49.79 73.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.845 -0.616 . . . . 72.33 111.15 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.94 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 64.24 111.092 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.467 ' CZ3' ' CD1' ' A' ' 43' ' ' TRP . 28.2 t-105 -63.01 -41.3 99.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 75.41 110.647 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.88 -28.26 69.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.852 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -81.06 -31.24 34.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 75.14 109.902 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.525 ' CZ2' ' HB3' ' A' ' 71' ' ' MET . 22.6 t-105 -72.95 -49.71 27.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.915 -0.584 . . . . 73.42 109.985 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -43.39 32.7 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.996 0.427 . . . . 74.45 110.623 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -65.77 -31.59 72.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.789 -0.642 . . . . 71.33 110.629 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' O ' ' HG3' ' A' ' 49' ' ' MET . 1.2 tptt -86.05 -26.55 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 74.13 110.876 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 51' ' ' ILE . 34.0 tt0 -66.49 -51.83 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.967 0.413 . . . . 75.45 110.486 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.2 t -53.0 -38.54 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.846 -0.615 . . . . 74.14 112.129 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 2.0 ptp -80.19 -34.47 37.44 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.074 -0.25 . . . . 74.2 111.321 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 45.8 mt -64.72 -30.94 71.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 74.11 110.531 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.472 HD13 HD13 ' A' ' 67' ' ' LEU . 49.9 mt -77.44 -38.59 26.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 73.01 110.513 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -78.26 -33.83 49.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.783 -0.644 . . . . 75.53 111.301 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -78.66 -54.38 6.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.743 0.306 . . . . 72.53 111.055 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -75.71 -6.18 49.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.319 -0.4 . . . . 71.11 110.635 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm 61.67 61.92 1.37 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.331 -0.395 . . . . 74.11 110.835 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.434 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 52.0 mt -88.11 -174.95 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 75.54 110.404 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.61 101.64 1.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 70.12 110.61 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.477 ' HE2' ' H ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -56.73 -18.21 11.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.846 -0.616 . . . . 73.33 111.79 -179.306 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -14.1 58.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.577 0.227 . . . . 74.53 111.488 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -115.21 129.51 56.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.962 0.411 . . . . 73.54 110.965 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.98 -34.66 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 75.0 111.349 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -42.8 67.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 73.41 111.398 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 47.9 m170 -85.65 -33.22 21.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 65.41 111.134 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -52.41 -52.64 52.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 71.4 110.746 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 3.1 pttp -64.31 -28.89 70.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.961 -0.563 . . . . 61.24 110.889 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -37.82 83.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.967 0.413 . . . . 65.44 109.925 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 51' ' ' ILE . 3.2 mt -63.73 -47.94 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 72.34 109.886 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -54.91 -24.99 26.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.816 -0.629 . . . . 75.24 110.483 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.41 -48.3 20.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 75.11 110.414 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.35 -49.32 77.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.564 . . . . 75.23 110.926 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.525 ' HB3' ' CZ2' ' A' ' 43' ' ' TRP . 8.9 ptm -50.61 -35.53 30.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.326 -0.397 . . . . 72.11 111.096 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.521 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 86.1 t -66.82 -59.49 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 120.927 0.394 . . . . 73.42 110.269 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 4.5 t30 -52.01 -18.93 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 64.34 111.033 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -95.24 -51.13 4.74 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.509 -0.314 . . . . 74.22 111.651 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.428 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -103.26 -44.17 5.25 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.421 0.526 . . . . 74.13 112.421 -178.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CZ ' HG12 ' A' ' 35' ' ' ILE . 91.2 m-85 -97.22 28.62 3.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.36 0.504 . . . . 73.34 112.36 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 31.4 tt0 -67.09 59.25 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.192 0.52 . . . . 71.23 110.615 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 CA-C-N 115.616 -0.72 . . . . 72.21 111.825 -179.858 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.849 0.356 . . . . 75.42 110.952 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.3 pt -82.35 -175.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 72.21 111.387 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 11.3 t80 -120.76 100.79 7.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.566 . . . . 72.41 110.126 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.8 t -59.32 144.64 45.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.369 -0.378 . . . . 65.22 110.78 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.8 t -97.02 -25.1 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.591 -0.277 . . . . 74.14 111.115 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 54.5 t80 -74.61 -42.71 58.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.029 0.442 . . . . 73.04 110.144 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.62 -13.1 32.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.881 -0.6 . . . . 73.11 110.595 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 57.27 42.6 24.94 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.37 -0.377 . . . . 71.4 110.031 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -141.35 -166.39 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.907 -0.588 . . . . 74.21 110.522 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 1.3 tt0 -111.32 117.86 34.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 65.42 110.949 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.58 -178.49 3.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.25 111.272 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.89 -12.75 59.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 72.43 111.453 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.56 174.09 0.73 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.625 -0.798 . . . . 53.22 112.43 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -83.73 175.83 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 72.41 110.822 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.06 -26.41 7.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 63.02 111.254 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -142.27 143.15 32.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 75.5 111.089 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 24' ' ' PRO . 20.1 tt0 -66.22 122.05 16.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.99 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.25 -36.8 9.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.522 . . . . 71.53 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.677 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -85.94 169.01 16.75 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.824 -0.625 . . . . 71.5 110.617 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.677 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 3.4 Cg_endo -43.97 -173.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.585 2.857 . . . . 65.33 113.109 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.96 -74.57 0.57 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 115.466 0.946 . . . . 62.31 115.466 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -53.95 -55.65 25.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.504 0.557 . . . . 61.3 112.504 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.5 mt -74.46 -54.61 7.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.757 0.651 . . . . 73.23 112.757 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.603 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -50.19 -20.5 3.44 Favored Glycine 0 C--O 1.229 -0.179 0 C-N-CA 120.203 -0.999 . . . . 70.33 113.673 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -57.22 5.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.066 0.433 . . . . 74.43 111.121 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.66 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 8.2 ptp180 -58.36 -37.46 75.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.667 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.48 HG23 ' HB ' ' A' ' 35' ' ' ILE . 5.0 mt -63.73 -55.52 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 121.642 0.734 . . . . 75.33 109.596 178.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -20.5 38.15 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.584 -1.189 . . . . 75.01 110.811 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -100.56 -53.38 3.1 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.101 0.778 . . . . 73.34 113.101 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.555 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -95.1 -24.21 16.97 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.976 0.732 . . . . 71.44 112.976 -178.006 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.504 HG12 ' CE1' ' A' ' 76' ' ' PHE . 17.6 mm -99.49 98.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.953 0.406 . . . . 72.42 110.79 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.3 p -62.69 -179.32 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.895 -0.593 . . . . 70.31 111.046 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -69.67 -34.8 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.22 111.124 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -60.25 -50.97 71.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.959 0.409 . . . . 72.33 110.459 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.87 78.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 64.24 110.56 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.457 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 31.2 t-105 -62.81 -47.1 84.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.601 . . . . 75.41 110.812 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.39 -21.42 36.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 63.23 111.194 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -82.05 -34.95 29.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.883 0.373 . . . . 75.14 110.04 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 17.2 t-105 -72.84 -51.78 17.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.121 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -46.18 -43.42 15.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.948 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -61.66 -42.6 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 71.33 110.55 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 0.8 OUTLIER -78.16 -24.44 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 74.13 110.822 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.96 -51.54 57.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 75.45 111.012 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 49' ' ' MET . 14.3 t -54.63 -41.98 70.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.432 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.438 ' N ' HG21 ' A' ' 48' ' ' THR . 2.8 ptm -77.78 -29.44 50.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.626 0.251 . . . . 74.2 110.859 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.647 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 13.1 mt -65.94 -29.22 69.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 74.11 110.251 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.424 HD11 HD13 ' A' ' 67' ' ' LEU . 63.2 mt -83.67 -37.26 13.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.037 -0.529 . . . . 73.01 110.655 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -73.14 -49.03 30.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.968 -0.56 . . . . 75.53 111.186 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.74 -53.55 26.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 72.53 111.405 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.647 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -73.22 -13.97 61.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.339 . . . . 71.11 110.909 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt 66.86 63.09 0.49 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.345 -0.389 . . . . 74.11 111.107 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD13 ' HG ' ' A' ' 67' ' ' LEU . 73.3 mt -93.37 179.51 5.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.446 -0.343 . . . . 75.54 110.423 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -144.39 108.88 4.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.779 0.323 . . . . 70.12 110.814 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.402 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -62.45 -21.81 65.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.33 111.692 -179.37 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -28.75 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 74.53 110.988 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.74 125.99 38.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.352 -0.386 . . . . 73.54 110.703 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -63.9 -28.72 70.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 75.0 111.391 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.15 -40.94 82.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.326 -0.397 . . . . 73.41 111.433 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.404 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 39.6 m170 -85.65 -38.53 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 65.41 110.889 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.89 -46.01 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 71.4 110.384 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -65.66 -28.34 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 61.24 110.333 179.343 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -45.13 88.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.013 -0.54 . . . . 65.44 110.408 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 51' ' ' ILE . 3.4 mt -55.35 -47.15 76.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.026 -0.534 . . . . 72.34 110.536 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 10.8 mt-10 -50.77 -25.75 4.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 75.24 110.605 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -52.59 10.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 75.11 111.115 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -56.15 -52.04 65.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 75.23 111.256 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.5 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -43.67 -42.45 5.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.081 -0.509 . . . . 72.11 111.761 -179.322 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' GLU . 97.3 t -54.57 -57.53 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.905 0.383 . . . . 73.42 110.592 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 3.1 t30 -51.8 -20.34 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 64.34 111.419 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.433 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 27.4 t80 -95.4 -51.24 4.66 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.926 0.343 . . . . 74.22 111.926 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.95 -45.13 5.29 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.55 0.574 . . . . 74.13 112.55 -178.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.66 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 49.5 m-85 -97.78 28.58 3.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.315 0.487 . . . . 73.34 112.315 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -67.8 60.26 0.07 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.47 -0.787 . . . . 71.23 110.683 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.629 0 CA-C-N 115.658 -0.701 . . . . 72.21 112.119 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.866 0.365 . . . . 75.42 110.275 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.4 pt -80.64 -178.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.138 0.494 . . . . 72.21 111.56 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -117.95 95.8 5.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.568 -0.742 . . . . 72.41 109.766 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.71 147.16 34.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 65.22 110.751 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -97.93 -24.2 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 74.14 110.972 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -74.52 -45.5 45.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.04 110.23 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -17.11 30.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.895 -0.593 . . . . 73.11 110.482 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 60.62 41.29 15.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 71.4 110.143 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.29 -174.84 4.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 74.21 110.419 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -99.09 113.23 25.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.691 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.62 158.29 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.25 110.878 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.08 -19.78 47.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 72.43 111.284 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.09 -167.8 54.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.763 . . . . 53.22 112.437 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.67 179.86 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 72.41 110.828 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -122.56 -26.48 4.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 63.02 111.513 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -134.04 134.87 42.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 75.5 111.44 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 21.5 tt0 -60.72 127.96 34.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 75.54 110.753 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mt -93.18 -41.19 10.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 71.53 111.184 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.616 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -94.82 166.97 13.96 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.408 -0.36 . . . . 71.5 110.116 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 11.1 Cg_endo -93.85 -176.72 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.966 2.444 . . . . 65.33 113.006 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.12 -141.95 5.12 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.43 -0.805 . . . . 62.31 114.145 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -81.2 -39.42 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.525 -0.338 . . . . 61.3 111.326 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.747 ' HG ' ' HG3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -49.62 -54.2 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.103 0.478 . . . . 73.23 110.557 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.616 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.85 -30.99 60.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.298 -0.953 . . . . 70.33 111.368 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -50.99 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 74.43 110.212 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 4.8 ptp180 -63.81 -42.2 97.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 74.43 110.955 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.438 HD13 HD13 ' A' ' 27' ' ' LEU . 10.5 mt -62.05 -56.75 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.586 0.707 . . . . 75.33 109.408 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.567 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -58.45 -18.46 28.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.847 -1.07 . . . . 75.01 109.719 178.137 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -91.9 -64.44 1.11 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.71 0.633 . . . . 73.34 112.71 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.6 -12.35 27.63 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.957 0.725 . . . . 71.44 112.957 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.41 ' HB ' ' CG2' ' A' ' 31' ' ' ILE . 16.0 mm -108.27 92.93 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.982 0.42 . . . . 72.42 111.035 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 p -60.82 -178.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 70.31 110.73 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -68.44 -32.05 71.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.387 -0.369 . . . . 71.22 111.241 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -61.76 -45.36 94.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.4 -0.364 . . . . 72.33 111.074 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.87 -37.89 64.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 64.24 110.751 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.421 ' CZ3' ' CD1' ' A' ' 43' ' ' TRP . 54.5 t-105 -61.96 -33.07 73.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 75.41 110.838 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.48 -27.53 66.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 63.23 111.067 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -77.29 -33.86 55.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.047 0.451 . . . . 75.14 109.995 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 19.8 t-105 -70.97 -50.22 36.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.885 -0.598 . . . . 73.42 110.106 179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -52.75 -38.44 60.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.378 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -64.3 -32.21 73.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.754 -0.657 . . . . 71.33 110.138 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 7.5 tptt -87.78 -25.35 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 74.13 110.783 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.69 -51.41 69.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 75.45 110.295 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.1 t -49.45 -43.73 45.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 74.14 111.524 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.3 ptp -78.01 -35.57 49.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 74.2 110.879 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.55 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 17.0 mt -63.94 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.391 . . . . 74.11 110.546 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.421 ' CG2' ' HB2' ' A' ' 56' ' ' LEU . 64.9 mt -83.16 -46.33 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 73.01 111.135 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -71.07 -27.26 63.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 75.53 111.454 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -86.26 -54.0 4.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.505 -0.316 . . . . 72.53 111.502 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -75.04 -5.61 45.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.556 -0.293 . . . . 71.11 111.391 -179.645 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER 66.75 60.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 74.11 110.897 -179.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 90.5 mt -97.72 170.9 8.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 75.54 110.148 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -145.12 105.53 4.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 70.12 111.036 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -19.11 8.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 73.33 111.57 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -28.36 41.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.762 0.315 . . . . 74.53 110.645 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.44 105.55 17.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.479 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -45.87 -30.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 75.0 111.639 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -64.11 -33.97 76.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 73.41 111.258 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -85.38 -39.22 17.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.257 -0.429 . . . . 65.41 110.824 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -38.63 60.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.346 -0.388 . . . . 71.4 110.269 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 11.1 ptpt -75.26 -26.85 59.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 61.24 110.065 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -43.44 98.84 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.281 -0.637 . . . . 65.44 109.281 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.433 ' HG ' ' CZ2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -60.08 -33.95 72.79 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.04 -0.726 . . . . 72.34 109.04 178.309 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.747 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 42.9 tt0 -61.85 -21.92 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.233 -0.894 . . . . 75.24 110.161 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -82.42 -49.99 9.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 75.11 110.888 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -64.6 -32.59 74.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 75.23 110.989 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.491 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 3.1 ptm -56.85 -34.18 67.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.403 -0.362 . . . . 72.11 111.377 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 76' ' ' PHE . 86.3 t -62.16 -59.51 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 73.42 110.565 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 49.4 t-20 -50.51 -19.67 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 64.34 111.389 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -95.32 -50.46 5.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.493 -0.322 . . . . 74.22 111.656 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.4 -45.17 4.94 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.775 0.657 . . . . 74.13 112.775 -178.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 54.7 m-85 -97.81 28.58 3.8 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.03 0.382 . . . . 73.34 112.03 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 1.3 tt0 -66.29 58.25 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.857 -0.61 . . . . 71.23 111.113 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.522 0 C-N-CA 120.943 -0.646 . . . . 72.21 112.51 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.816 0.341 . . . . 75.42 110.663 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.9 pt -80.98 -177.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 72.21 111.196 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -118.96 100.46 7.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.921 -0.581 . . . . 72.41 110.001 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.574 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 22.8 t -62.32 145.8 52.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 65.22 110.782 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.5 t -96.89 -22.21 17.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 74.14 110.629 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -74.3 -44.89 50.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 73.04 109.842 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -92.43 -18.46 23.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.577 -0.738 . . . . 73.11 110.628 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 62.36 41.17 10.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 71.4 110.485 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HD2' ' HB3' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -140.24 -173.82 3.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 74.21 110.372 179.123 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -103.51 112.71 25.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 65.42 110.764 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.96 158.94 26.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 73.25 111.286 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.03 -22.12 36.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 72.43 111.433 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.46 -151.88 52.0 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.795 -0.717 . . . . 53.22 112.869 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -116.44 167.14 11.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.85 0.357 . . . . 72.41 110.977 -179.738 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -106.86 -23.57 12.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 63.02 111.182 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -138.41 144.24 40.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 75.5 111.016 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 45.5 tt0 -64.21 118.69 8.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.81 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.32 -36.93 22.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 71.53 111.579 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.634 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -100.97 164.09 16.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.607 0.242 . . . . 71.5 110.544 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 9.0 Cg_endo -92.21 -165.41 0.15 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.901 2.401 . . . . 65.33 112.718 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.63 -148.81 0.52 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.392 -0.822 . . . . 62.31 114.128 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -81.51 -38.13 26.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.135 -0.533 . . . . 61.3 111.581 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -56.08 -46.06 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 73.23 110.5 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.579 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -58.07 -34.84 74.21 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.17 -1.014 . . . . 70.33 111.856 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -41.94 77.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.564 0.221 . . . . 74.43 110.985 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 16.2 ptm180 -70.07 -43.8 70.41 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.615 -0.266 . . . . 74.43 110.936 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.487 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 6.5 mt -60.12 -53.51 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 CA-C-O 121.628 0.728 . . . . 75.33 109.434 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.444 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -60.15 -18.26 46.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.684 -1.144 . . . . 75.01 109.97 178.538 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -96.54 -54.87 3.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.906 0.706 . . . . 73.34 112.906 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.574 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 20.3 mt-10 -94.68 -16.17 23.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.794 0.665 . . . . 71.44 112.794 -177.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.418 ' HB ' HG21 ' A' ' 31' ' ' ILE . 15.2 mm -109.34 127.35 66.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.887 0.375 . . . . 72.42 110.585 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -94.49 178.28 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 70.31 111.202 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -63.04 -37.08 85.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 71.22 110.973 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 2.4 tt0 -57.83 -44.82 86.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.866 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.21 -36.76 29.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.496 -0.32 . . . . 64.24 110.849 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.515 ' CZ3' ' CD1' ' A' ' 43' ' ' TRP . 52.8 t-105 -62.64 -38.16 89.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 75.41 110.35 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.0 94.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.117 -0.492 . . . . 63.23 110.345 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 17.3 mt-30 -64.18 -33.23 75.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 75.14 110.215 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 26.1 t-105 -70.38 -49.87 44.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 73.42 110.489 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.75 -50.68 43.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 74.45 110.515 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -57.56 -31.86 66.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.933 -0.576 . . . . 71.33 110.351 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 3.2 tppt? -83.68 -28.79 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 74.13 110.594 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.18 -53.84 49.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 75.45 110.465 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 t -53.58 -48.67 68.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.846 -0.615 . . . . 74.14 111.623 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 20.0 ptm -66.68 -35.17 79.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 74.2 111.167 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.612 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 15.6 mt -58.91 -34.65 71.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.021 0.439 . . . . 74.11 110.386 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.0 mt -80.66 -37.85 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 73.01 111.074 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -73.11 -40.31 65.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.89 -0.596 . . . . 75.53 111.649 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -78.56 -54.34 6.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.642 -0.254 . . . . 72.53 111.572 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.612 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.4 -8.51 54.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.603 0.239 . . . . 71.11 111.238 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? 63.87 60.37 1.05 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.806 0.336 . . . . 74.11 110.975 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.9 mt -92.85 -175.77 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.536 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.85 102.13 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.945 0.402 . . . . 70.12 110.821 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.439 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -61.79 -14.08 29.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 73.33 111.58 -179.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 ttm -79.43 -8.67 59.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.707 0.289 . . . . 74.53 110.808 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.48 124.88 46.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 73.54 110.493 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -54.0 -35.53 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 75.0 111.36 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -54.43 -43.19 71.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.393 . . . . 73.41 111.474 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -85.58 -39.2 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 65.41 110.996 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -47.11 -48.9 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 71.4 110.999 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -65.89 -26.92 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 61.24 110.838 179.838 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -44.18 74.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.375 -0.375 . . . . 65.44 110.702 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' ' CZ2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -61.89 -45.19 94.81 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.82 -0.437 . . . . 72.34 109.82 179.191 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' CG ' HD11 ' A' ' 27' ' ' LEU . 18.6 tt0 -57.76 -21.58 42.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.781 -0.645 . . . . 75.24 110.138 179.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -80.38 -50.37 10.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.789 -0.641 . . . . 75.11 110.622 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.82 -25.63 67.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 75.23 111.534 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 3.1 ptm -58.39 -33.98 70.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 72.11 110.97 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.524 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 83.6 t -63.51 -59.71 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.204 0.526 . . . . 73.42 109.776 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -48.46 -22.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.717 -0.674 . . . . 64.34 111.52 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -93.39 -53.11 4.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.525 -0.307 . . . . 74.22 111.667 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mt -101.97 -39.57 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.845 0.683 . . . . 74.13 112.845 -178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.524 ' HB2' ' HA ' ' A' ' 72' ' ' VAL . 30.8 m-85 -101.67 28.72 5.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.94 0.4 . . . . 73.34 111.606 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 tt0 -66.74 59.44 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.586 -0.733 . . . . 71.23 110.703 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 110.879 -0.889 . . . . 72.21 110.879 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 75.42 110.513 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt -80.08 -175.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 72.21 111.34 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 7.0 t80 -119.66 96.73 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 72.41 110.265 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 24.4 t -59.46 146.66 39.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 65.22 110.849 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -98.03 -24.53 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 74.14 110.729 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -74.38 -45.0 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.112 0.482 . . . . 73.04 109.965 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.0 -18.75 28.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.64 -0.709 . . . . 73.11 110.728 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 62.48 40.49 10.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.417 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -142.17 -171.17 3.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.972 -0.558 . . . . 74.21 110.39 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -106.88 114.22 28.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 65.42 110.45 179.646 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.98 158.97 43.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.052 0.454 . . . . 73.25 111.663 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 176.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 72.43 110.799 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -128.72 -172.9 13.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.55 -0.833 . . . . 53.22 112.791 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.0 143.61 32.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 72.41 110.529 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -27.62 35.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 63.02 111.29 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -130.11 132.76 46.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.351 . . . . 75.5 111.24 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 26.9 tt0 -60.55 137.35 58.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.622 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.2 mt -96.75 -42.25 8.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 71.53 111.365 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.616 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -93.92 160.43 32.45 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.352 -0.385 . . . . 71.5 110.262 179.643 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.575 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 24.5 Cg_endo -89.29 -176.48 1.33 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.55 2.167 . . . . 65.33 113.195 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.96 -139.79 1.99 Allowed Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.182 -0.917 . . . . 62.31 114.267 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.44 -43.36 19.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.324 -0.438 . . . . 61.3 111.977 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mt -47.11 -45.8 22.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.902 0.382 . . . . 73.23 110.211 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.616 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -65.44 -32.17 82.61 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.687 -0.768 . . . . 70.33 112.252 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 4.8 ttpp -61.35 -55.71 28.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 74.43 110.318 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 1.8 ptp180 -59.92 -42.44 93.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.015 -0.538 . . . . 74.43 112.106 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 HD12 ' HA2' ' A' ' 28' ' ' GLY . 8.0 mt -60.51 -59.27 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-O 121.654 0.74 . . . . 75.33 109.879 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -17.9 27.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.73 -1.123 . . . . 75.01 110.371 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.2 m-80 -95.51 -61.25 1.5 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.389 0.514 . . . . 73.34 112.389 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.547 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 mm-40 -94.59 -15.96 23.63 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.904 0.705 . . . . 71.44 112.904 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' ILE . 13.0 mm -105.0 94.61 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 72.42 110.6 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 p -58.46 -177.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.044 -0.525 . . . . 70.31 110.793 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -27.48 62.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 71.22 110.812 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -47.11 72.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 72.33 110.783 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.43 -40.62 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 64.24 110.975 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.405 ' CE3' HG23 ' A' ' 31' ' ' ILE . 32.5 t-105 -60.28 -35.88 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.41 110.779 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.19 -23.25 65.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 63.23 111.093 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -80.1 -27.87 39.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.385 . . . . 75.14 110.224 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 24.9 t-105 -81.46 -52.82 6.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.038 -0.528 . . . . 73.42 110.342 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -48.0 -40.27 22.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 74.45 110.581 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -65.22 -33.01 74.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.847 -0.615 . . . . 71.33 110.037 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.549 ' O ' ' HG3' ' A' ' 49' ' ' MET . 9.7 tptt -86.39 -19.53 29.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.853 -0.612 . . . . 74.13 110.639 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.444 ' HG3' HD13 ' A' ' 67' ' ' LEU . 2.2 tt0 -70.01 -46.91 64.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 75.45 110.516 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 t -57.53 -40.87 79.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.994 -0.548 . . . . 74.14 111.788 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.549 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -74.11 -37.3 64.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.692 0.282 . . . . 74.2 111.235 -179.578 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 50.0 mt -62.25 -28.96 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 74.11 110.818 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 70.6 mt -84.16 -36.07 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.013 0.435 . . . . 73.01 110.942 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -77.88 -32.55 51.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.734 -0.667 . . . . 75.53 111.161 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -82.68 -54.46 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 72.53 111.404 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -72.31 -8.42 54.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.541 -0.3 . . . . 71.11 111.094 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt 65.69 60.81 0.7 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.842 0.354 . . . . 74.11 110.418 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 72.6 mt -95.26 -175.74 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 75.54 110.587 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -152.76 106.14 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.431 -0.349 . . . . 70.12 110.692 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -11.53 13.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 73.33 111.713 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 ttt -79.46 -20.63 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.729 0.299 . . . . 74.53 110.692 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.49 132.04 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.54 110.564 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.05 -29.83 71.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 75.0 111.172 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -35.59 81.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 73.41 110.879 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -85.17 -36.21 21.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 65.41 110.723 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.408 HH11 ' HA ' ' A' ' 64' ' ' ARG . 1.1 tpt85 -57.86 -42.29 84.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.4 110.412 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.664 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -68.18 -17.32 64.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.829 -0.623 . . . . 61.24 110.782 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.06 -43.78 77.85 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.668 -0.413 . . . . 65.44 109.931 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.503 HD13 ' CZ2' ' A' ' 43' ' ' TRP . 2.7 mm? -62.59 -47.8 82.21 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.615 -0.513 . . . . 72.34 109.615 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 7.0 pt-20 -60.91 -22.17 64.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.877 -0.601 . . . . 75.24 109.972 178.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -76.41 -47.73 22.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.833 -0.621 . . . . 75.11 110.164 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.68 -37.99 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.867 -0.606 . . . . 75.23 110.654 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.545 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -47.39 -39.37 15.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.317 -0.401 . . . . 72.11 110.9 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.468 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 93.7 t -58.23 -58.07 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.131 0.491 . . . . 73.42 110.396 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 3.2 t-20 -51.22 -20.74 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.852 -0.613 . . . . 64.34 111.479 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -95.79 -49.48 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.784 0.29 . . . . 74.22 111.784 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.22 -46.35 4.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.333 0.494 . . . . 74.13 112.333 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 48.1 m-85 -96.95 28.84 3.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.322 -0.399 . . . . 73.34 112.024 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.7 tm-20 -66.37 50.02 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.74 -0.663 . . . . 71.23 111.138 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 111.231 -0.748 . . . . 72.21 111.231 179.841 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.81 0.338 . . . . 75.42 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.5 pt -82.32 179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.163 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -112.19 96.69 6.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.518 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 19.3 t -59.21 150.23 26.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 65.22 110.789 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t -101.51 -22.05 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.334 . . . . 74.14 110.892 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 29.3 t80 -74.16 -47.71 34.06 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.824 -0.435 . . . . 73.04 109.824 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.02 -17.39 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.664 -0.698 . . . . 73.11 110.891 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 62.5 39.98 11.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 71.4 110.215 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -138.91 -169.63 2.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.769 -0.65 . . . . 74.21 110.109 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -109.84 113.94 27.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.442 -0.344 . . . . 65.42 110.679 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.5 168.41 19.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 73.25 111.541 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -55.88 167.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.893 -0.594 . . . . 72.43 111.062 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.32 152.69 17.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.678 -0.772 . . . . 53.22 112.371 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 10.2 mp0 -69.47 161.43 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 72.41 110.89 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -90.89 -34.29 15.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 63.02 110.963 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -139.73 153.26 47.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 75.5 111.144 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' OE1' ' HG3' ' A' ' 29' ' ' LYS . 10.4 tt0 -68.13 118.77 11.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 75.54 110.948 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 40' ' ' TRP . 13.5 mt -81.21 -34.03 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 71.53 110.42 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -98.16 165.23 15.69 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 71.5 109.923 179.185 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 10.9 Cg_endo -94.31 -172.38 0.28 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 123.033 2.489 . . . . 65.33 113.595 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.47 -142.86 1.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.255 -0.884 . . . . 62.31 114.116 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -80.9 -38.4 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.527 -0.337 . . . . 61.3 111.183 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -50.27 -54.32 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.659 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.585 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -57.85 -31.52 64.61 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.173 -1.013 . . . . 70.33 111.549 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -63.1 -55.57 24.26 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.161 -0.311 . . . . 74.43 110.161 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 12.2 ptp180 -60.46 -40.77 92.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.162 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.456 ' CG2' ' CE3' ' A' ' 40' ' ' TRP . 10.1 mt -60.88 -62.99 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-O 121.539 0.685 . . . . 75.33 109.693 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.412 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -56.87 -18.36 12.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.844 -1.071 . . . . 75.01 110.703 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.8 m-80 -96.9 -58.85 1.93 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.005 0.742 . . . . 73.34 113.005 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.555 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 5.7 mm-40 -94.89 -17.46 22.02 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.01 0.745 . . . . 71.44 113.01 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 76' ' ' PHE . 22.1 mm -103.26 100.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.185 0.517 . . . . 72.42 111.337 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 m -64.15 172.11 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.592 -0.731 . . . . 70.31 110.768 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -31.03 71.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.313 -0.403 . . . . 71.22 111.045 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.69 -41.0 96.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 72.33 110.785 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.82 -43.67 21.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 64.24 111.104 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.456 ' CE3' ' CG2' ' A' ' 31' ' ' ILE . 39.8 t-105 -55.43 -35.51 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.41 110.975 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.0 -50.7 69.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 63.23 110.118 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -54.88 -36.12 64.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 75.14 110.324 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 36.7 t-105 -68.92 -58.31 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 73.42 110.699 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.18 -42.56 14.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.304 -0.407 . . . . 74.45 110.751 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -66.5 -31.91 72.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 71.33 110.141 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 4.3 tptp -83.07 -26.54 31.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.99 -0.55 . . . . 74.13 110.207 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -66.57 -50.01 64.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.502 . . . . 75.45 110.811 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.4 t -56.74 -43.47 80.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.593 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.4 ptp -70.86 -38.54 73.14 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 121.117 -0.233 . . . . 74.2 111.137 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 31.9 mt -58.4 -42.31 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.0 0.429 . . . . 74.11 110.323 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.402 HG23 ' CE ' ' A' ' 58' ' ' MET . 85.4 mt -69.94 -36.78 70.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.081 -0.509 . . . . 73.01 111.592 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -73.27 -48.1 37.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.416 -0.356 . . . . 75.53 111.105 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.65 -53.81 14.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.473 -0.33 . . . . 72.53 110.96 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.21 -15.06 61.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.797 0.332 . . . . 71.11 110.854 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 66.5 62.54 0.54 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.284 -0.416 . . . . 74.11 110.961 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.401 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 63.6 mt -91.97 -170.45 2.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.505 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.88 101.59 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 70.12 110.79 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.526 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -58.9 -18.31 32.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 73.33 111.462 -179.624 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtm -79.29 -19.44 50.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 74.53 110.698 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -102.83 118.81 37.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 73.54 110.66 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.71 -27.78 52.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 75.0 111.208 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -65.97 -36.67 83.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.41 -0.359 . . . . 73.41 110.792 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -85.45 -42.78 14.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.226 -0.443 . . . . 65.41 110.856 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.526 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.94 -43.11 63.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 71.4 110.556 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -64.48 -24.09 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 61.24 110.317 179.192 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -48.66 80.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.236 -0.438 . . . . 65.44 110.379 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.43 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 3.8 mm? -53.92 -47.13 71.51 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.439 -0.578 . . . . 72.34 109.439 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.503 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 6.4 tt0 -55.32 -23.7 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.533 -0.758 . . . . 75.24 110.183 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.44 -50.0 10.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.993 -0.549 . . . . 75.11 110.892 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.19 -32.74 67.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 75.23 111.079 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.521 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -53.44 -48.28 68.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.494 -0.321 . . . . 72.11 110.707 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.532 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 93.3 t -52.1 -57.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 73.42 110.639 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -52.92 -19.25 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.18 -0.463 . . . . 64.34 111.112 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.445 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 36.4 t80 -94.78 -52.36 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.637 0.256 . . . . 74.22 111.352 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.447 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -102.2 -45.95 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.499 0.555 . . . . 74.13 112.499 -178.642 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.543 ' C ' ' H ' ' A' ' 78' ' ' GLY . 48.6 m-85 -96.43 28.65 3.22 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.577 0.584 . . . . 73.34 112.577 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -66.09 36.54 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 111.892 0.33 . . . . 71.23 111.892 -179.55 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 111.889 -0.484 . . . . 72.21 111.889 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 120.906 0.384 . . . . 74.34 111.436 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.54 35.11 4.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 74.12 112.595 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -132.78 105.39 7.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.788 0.328 . . . . 63.22 110.862 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.29 87.13 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.15 111.041 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m -133.88 96.08 3.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.962 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ALA . 23.4 pt -79.6 -176.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 72.21 111.15 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 32.4 t80 -122.27 99.14 6.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.895 -0.593 . . . . 72.41 109.793 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 23.5 t -58.96 148.83 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 65.22 111.205 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -98.42 -26.47 14.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.674 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -74.62 -42.45 58.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.166 -0.47 . . . . 73.04 110.051 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.44 -18.96 23.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.807 -0.633 . . . . 73.11 110.397 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 60.49 41.78 15.29 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.112 -0.495 . . . . 71.4 110.279 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.64 -173.13 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 74.21 110.133 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.6 tt0 -104.45 111.94 24.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 65.42 110.848 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . -113.56 179.61 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 73.25 111.095 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.62 -11.24 59.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 72.43 111.456 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.06 174.44 1.9 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.685 -0.769 . . . . 53.22 112.471 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HG3' ' HG3' ' A' ' 37' ' ' LYS . 8.7 mp0 -88.6 178.74 6.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 72.41 111.146 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.45 -24.47 7.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 63.02 111.378 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -139.98 138.69 35.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 75.5 111.025 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 30.5 tt0 -61.58 132.02 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.991 -0.55 . . . . 75.54 111.017 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.6 mt -99.51 -42.55 6.88 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.082 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.615 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -88.31 164.67 32.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.623 -0.51 . . . . 71.5 109.623 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.608 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 25.9 Cg_endo -87.19 -178.86 2.61 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.5 2.133 . . . . 65.33 113.263 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.23 -141.28 1.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.195 -0.912 . . . . 62.31 114.694 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.51 -38.38 34.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.108 -0.546 . . . . 61.3 111.146 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -47.88 -54.18 13.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 73.23 110.365 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.615 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -58.5 -28.4 62.28 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.258 -0.972 . . . . 70.33 111.699 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -64.91 -58.26 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.558 0.218 . . . . 74.43 110.688 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -55.77 -40.06 72.1 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 116.584 -0.28 . . . . 74.43 111.039 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.456 HD13 ' HA2' ' A' ' 28' ' ' GLY . 8.9 mt -63.42 -56.8 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.566 0.698 . . . . 75.33 109.432 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -60.08 -18.24 45.51 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.776 -1.102 . . . . 75.01 110.426 178.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.4 m-80 -99.16 -57.91 2.06 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.971 0.73 . . . . 73.34 112.971 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.5 mm-40 -94.82 -19.18 20.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.96 0.726 . . . . 71.44 112.96 -177.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.428 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 17.4 mm -103.15 97.57 5.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.975 0.417 . . . . 72.42 110.536 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.0 t -61.82 172.01 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 70.31 111.143 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HG3' ' HG3' ' A' ' 18' ' ' GLN . 42.7 mttt -59.45 -37.81 79.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 71.22 110.829 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -46.97 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.844 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.58 88.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 64.24 110.942 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.423 ' CZ3' HG23 ' A' ' 31' ' ' ILE . 20.0 t-105 -62.68 -37.0 84.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 75.41 110.751 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 -20.72 66.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 63.23 110.921 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.06 -28.44 29.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 75.14 110.374 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.464 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 14.2 t-105 -84.87 -52.89 5.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 73.42 110.245 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -45.14 -41.87 8.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.246 -0.433 . . . . 74.45 111.079 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.403 ' O ' HG21 ' A' ' 48' ' ' THR . 41.5 t60 -63.56 -43.52 96.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.452 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.46 -23.12 50.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.415 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' TRP . 31.8 tt0 -68.75 -55.7 10.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.273 -0.421 . . . . 75.45 111.13 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.403 HG21 ' O ' ' A' ' 45' ' ' HIS . 13.2 t -52.47 -39.74 61.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 74.14 111.862 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -78.82 -33.22 46.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.65 0.262 . . . . 74.2 111.053 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 22.5 mt -63.8 -32.68 74.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.976 0.417 . . . . 74.11 110.391 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.493 HD12 HD12 ' A' ' 67' ' ' LEU . 77.3 mt -74.88 -36.04 38.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.975 -0.557 . . . . 73.01 110.904 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -77.95 -35.16 50.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 75.53 111.137 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.89 -54.2 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.458 -0.337 . . . . 72.53 111.171 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.95 -6.63 50.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.345 . . . . 71.11 111.14 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 62.77 59.18 1.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.993 0.425 . . . . 74.11 110.581 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 55.6 mt -87.38 -174.2 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 75.54 110.583 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.415 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 3.9 t30 -160.17 103.14 1.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.921 0.391 . . . . 70.12 110.439 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.435 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -60.41 -18.87 53.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.572 . . . . 73.33 111.407 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -25.0 40.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.758 0.313 . . . . 74.53 110.691 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -94.8 137.24 34.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 73.54 110.565 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -70.71 -29.81 66.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.26 -37.78 88.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 73.41 111.197 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -85.38 -42.85 14.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 65.41 110.738 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 2.3 tpt180 -46.27 -53.27 11.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 71.4 110.721 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -61.66 -27.06 68.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.951 -0.568 . . . . 61.24 110.443 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -45.12 81.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 65.44 110.474 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.493 HD12 HD12 ' A' ' 51' ' ' ILE . 1.7 mt -56.83 -52.27 65.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.078 0.466 . . . . 72.34 109.916 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.463 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 4.7 tm-20 -54.9 -23.76 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.576 -0.738 . . . . 75.24 110.396 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -75.36 -46.73 31.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.139 -0.482 . . . . 75.11 110.692 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.93 -51.23 62.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 75.23 111.209 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.464 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -44.68 -44.23 8.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.52 -0.309 . . . . 72.11 111.296 -179.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.47 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 58.1 t -53.72 -59.29 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.888 0.375 . . . . 73.42 110.868 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -51.16 -20.73 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 64.34 111.475 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -95.21 -49.26 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.526 -0.306 . . . . 74.22 111.567 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.32 -49.89 3.61 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.517 0.562 . . . . 74.13 112.517 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 61.8 m-85 -93.94 28.53 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.62 0.6 . . . . 73.34 112.62 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.8 OUTLIER -68.02 59.28 0.07 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.914 -0.585 . . . . 71.23 110.767 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.41 -38.33 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.814 -0.63 . . . . 72.21 112.582 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -51.03 4.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 73.2 110.873 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 56.24 32.34 20.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.03 111.487 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -85.28 110.97 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 120.913 0.387 . . . . 70.23 111.165 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -119.35 122.14 41.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 72.21 110.723 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.4 mm -128.25 143.91 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 73.25 111.224 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.6 102.6 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 63.3 110.652 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.29 44.31 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.665 -0.779 . . . . 74.03 112.378 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -88.44 123.3 32.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 70.14 110.862 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.7 p -145.9 94.61 4.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.1 110.757 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.68 126.46 22.52 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.491 2.127 . . . . 70.12 112.292 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.7 -41.77 20.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 73.11 110.886 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.7 -40.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 74.42 111.143 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -130.62 168.64 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 51.34 111.184 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.4 tptt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.926 -0.579 . . . . 74.24 110.979 179.779 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.743 0.306 . . . . 74.34 111.319 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.7 80.78 0.25 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.667 -0.778 . . . . 74.12 112.52 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p -152.87 141.21 20.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.347 . . . . 63.22 111.021 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.15 141.2 32.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.066 -0.516 . . . . 75.15 110.687 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 6' ' ' ILE . 1.5 m -108.68 177.27 4.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.735 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 5' ' ' THR . 5.1 pt -145.49 170.36 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.457 -0.338 . . . . 72.21 110.42 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -105.49 95.82 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.416 -0.357 . . . . 72.41 110.243 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 28.8 t -61.93 150.56 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 65.22 110.678 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 t -100.63 -22.26 15.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.865 0.364 . . . . 74.14 110.589 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' A' ' 39' ' ' ALA . 75.2 t80 -74.39 -47.36 34.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.985 -0.552 . . . . 73.04 110.092 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.65 -17.18 30.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 73.11 110.362 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 61.04 41.0 14.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.146 0.498 . . . . 71.4 110.312 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -143.79 -170.26 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.475 -0.784 . . . . 74.21 109.693 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 5.9 tt0 -104.83 103.83 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.986 0.422 . . . . 65.42 110.761 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.44 165.1 16.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.933 -0.576 . . . . 73.25 110.995 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 -57.41 158.72 5.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.466 -0.334 . . . . 72.43 110.752 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.47 173.98 15.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.762 . . . . 53.22 112.356 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -97.77 152.53 19.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 72.41 110.892 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -99.01 -21.25 16.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 63.02 111.177 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -127.04 126.09 42.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 75.5 111.04 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -60.33 133.18 55.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.703 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.505 HD11 ' NE1' ' A' ' 40' ' ' TRP . 5.6 mt -92.4 -42.37 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.556 . . . . 71.53 110.697 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.627 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -93.78 165.65 17.52 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.685 -0.487 . . . . 71.5 109.685 178.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.616 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 16.7 Cg_endo -92.21 -170.54 0.31 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.868 2.379 . . . . 65.33 112.872 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.46 -143.52 0.59 Allowed Glycine 0 C--N 1.33 0.201 0 CA-C-N 115.479 -0.782 . . . . 62.31 114.446 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -80.33 -37.3 32.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.126 -0.537 . . . . 61.3 111.364 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' HG ' ' CG ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -51.5 -52.99 42.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 73.23 110.362 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.627 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -55.85 -32.32 58.99 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.279 -0.962 . . . . 70.33 111.51 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -60.51 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.627 0.251 . . . . 74.43 110.446 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 1.9 ptp180 -56.74 -39.71 74.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.305 -0.407 . . . . 74.43 111.47 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 23' ' ' TYR . 5.5 mt -63.54 -60.8 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 121.526 0.679 . . . . 75.33 109.815 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.436 ' CE2' ' O ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -57.01 -18.29 13.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.03 -0.987 . . . . 75.01 110.617 179.257 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -99.89 -55.3 2.68 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.18 0.807 . . . . 73.34 113.18 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 mm-40 -94.73 -18.12 21.57 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.769 0.655 . . . . 71.44 112.769 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.407 HG12 ' HA ' ' A' ' 31' ' ' ILE . 13.9 mm -103.48 94.14 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.89 0.376 . . . . 72.42 110.766 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.6 p -57.5 170.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.526 . . . . 70.31 111.003 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -60.86 -25.31 66.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 71.22 110.846 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -46.34 75.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 72.33 111.595 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 10' ' ' PHE . . . -71.37 -43.76 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.822 0.304 . . . . 64.24 111.822 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.505 ' NE1' HD11 ' A' ' 22' ' ' LEU . 58.1 t-105 -54.52 -41.89 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.736 0.303 . . . . 75.41 111.095 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.41 68.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.362 . . . . 63.23 110.796 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -73.77 -38.07 64.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.404 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.528 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 15.9 t-105 -68.24 -50.39 54.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 73.42 110.171 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -46.87 -41.57 15.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.415 . . . . 74.45 110.738 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.414 ' O ' HG23 ' A' ' 48' ' ' THR . 49.0 t60 -65.5 -42.02 92.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.866 -0.606 . . . . 71.33 110.746 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 49' ' ' MET . 6.5 tptt -80.06 -19.73 46.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.697 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' TRP . 9.1 tt0 -69.28 -55.73 9.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.274 -0.421 . . . . 75.45 110.764 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 45' ' ' HIS . 11.6 t -49.5 -42.44 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 74.14 111.8 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -75.51 -35.53 60.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 74.2 110.78 -179.61 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.648 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 19.4 mt -62.84 -27.73 69.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.383 . . . . 74.11 110.296 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 67' ' ' LEU . 50.9 mt -84.53 -44.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 73.01 110.846 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -68.28 -35.56 78.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.954 -0.566 . . . . 75.53 111.443 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.39 -49.57 9.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.415 -0.357 . . . . 72.53 111.763 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -73.93 -9.41 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.677 0.275 . . . . 71.11 110.87 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mttm 64.53 55.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.978 0.418 . . . . 74.11 110.628 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 44.3 mt -84.04 -171.97 3.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 75.54 110.376 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.12 96.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.414 -0.357 . . . . 70.12 110.631 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.429 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.84 -20.22 34.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 73.33 111.32 -179.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.7 mtt -81.3 10.77 5.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.56 -0.291 . . . . 74.53 111.558 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -138.9 128.16 24.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.351 . . . . 73.54 110.721 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.98 -24.94 63.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.243 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.63 -45.35 87.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 73.41 111.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -85.41 -34.87 21.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.937 0.398 . . . . 65.41 110.556 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -48.26 -48.31 35.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.011 -0.54 . . . . 71.4 110.373 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -66.22 -30.86 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.798 -0.637 . . . . 61.24 110.137 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -49.03 69.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 65.44 110.76 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 51' ' ' ILE . 4.4 mt -58.4 -46.09 87.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.401 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -53.19 -21.79 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.79 -0.641 . . . . 75.24 110.495 179.353 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 -52.26 6.86 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.112 -0.494 . . . . 75.11 111.418 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.52 -42.05 98.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.462 -0.335 . . . . 75.23 111.175 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.528 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -48.53 -45.57 37.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 72.11 111.17 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 77' ' ' GLU . 93.3 t -51.29 -57.01 3.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.924 0.392 . . . . 73.42 110.262 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 20.9 t-20 -51.39 -20.68 1.87 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.89 -0.596 . . . . 64.34 111.114 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -95.46 -51.43 4.56 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.407 -0.36 . . . . 74.22 111.937 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.423 HD12 ' CG ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.03 -44.72 5.14 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.62 0.6 . . . . 74.13 112.62 -178.353 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 56.2 m-85 -97.43 28.72 3.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.008 0.432 . . . . 73.34 112.127 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' VAL . 73.4 tt0 -67.31 59.29 0.05 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.518 -0.765 . . . . 71.23 111.083 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.15 -36.31 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.913 -0.661 . . . . 72.21 112.379 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.72 -54.98 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 73.2 111.042 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 56.38 52.01 10.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 72.03 110.868 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.51 73.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 70.23 111.278 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -110.68 151.23 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.1 mm -126.18 127.29 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.25 111.095 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.26 125.02 10.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.511 . . . . 63.3 110.565 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.55 13.23 62.82 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.536 -0.84 . . . . 74.03 112.426 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -92.57 137.78 32.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.681 0.276 . . . . 70.14 110.572 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.3 t -136.0 94.7 14.2 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.447 -0.342 . . . . 74.1 111.302 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.81 134.84 24.57 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.453 2.102 . . . . 70.12 112.225 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.15 -34.67 75.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 73.11 110.954 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -168.05 167.08 12.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 74.42 110.772 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -153.31 146.45 24.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 51.34 110.981 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.9 pttm . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.24 111.083 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 120.921 0.391 . . . . 74.34 110.705 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.55 26.48 11.83 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.901 -0.666 . . . . 74.12 112.154 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -133.28 141.9 48.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.724 0.297 . . . . 63.22 110.699 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -61.97 163.66 7.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 75.15 110.724 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -113.81 113.74 25.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.398 . . . . 75.42 110.391 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.456 HD11 ' O ' ' A' ' 33' ' ' ASN . 30.3 pt -80.47 -176.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.047 0.451 . . . . 72.21 111.594 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 21.5 t80 -117.15 100.36 7.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 72.41 109.802 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 35.4 t -60.82 146.56 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.429 -0.351 . . . . 65.22 110.442 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.1 t -98.84 -23.73 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.662 0.268 . . . . 74.14 110.863 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 55.2 t80 -74.56 -43.91 53.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.997 0.427 . . . . 73.04 110.014 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.0 -16.05 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 73.11 110.624 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 60.75 40.74 15.77 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.033 0.445 . . . . 71.4 110.241 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -142.31 -167.28 2.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 74.21 110.345 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 6.5 tt0 -106.44 123.83 48.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 65.42 110.49 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' O ' ' CG1' ' A' ' 6' ' ' ILE . . . -150.3 164.33 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.373 . . . . 73.25 111.339 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.41 168.39 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 72.43 111.056 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -124.63 152.0 17.4 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.725 -0.75 . . . . 53.22 112.443 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -57.9 179.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.805 0.336 . . . . 72.41 111.012 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -116.84 -28.79 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 63.02 111.325 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -136.94 136.45 38.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 75.5 111.187 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 43.0 tt0 -59.33 124.81 21.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.938 -0.573 . . . . 75.54 110.77 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 mt -89.81 -46.47 8.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 71.53 111.162 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -83.59 169.33 17.66 Favored Pre-proline 0 C--N 1.331 -0.213 0 N-CA-C 109.493 -0.558 . . . . 71.5 109.493 178.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.54 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 13.3 Cg_endo -92.37 179.04 1.36 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.743 2.295 . . . . 65.33 113.119 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.02 -142.71 1.69 Allowed Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.45 -0.796 . . . . 62.31 114.894 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 1.4 tp10 -79.14 -39.68 32.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.915 -0.642 . . . . 61.3 111.564 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.688 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -49.96 -49.72 49.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.974 0.416 . . . . 73.23 110.623 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.597 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -58.9 -33.35 73.27 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.175 -1.012 . . . . 70.33 112.116 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -58.56 -52.54 65.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.691 0.281 . . . . 74.43 111.077 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.688 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.3 ptp180 -59.15 -36.29 74.99 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.598 -0.274 . . . . 74.43 111.149 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.448 HD12 ' HA2' ' A' ' 28' ' ' GLY . 6.9 mt -66.52 -52.15 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-O 121.575 0.703 . . . . 75.33 109.418 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -18.38 64.22 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.862 -1.063 . . . . 75.01 110.034 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' O ' HD11 ' A' ' 6' ' ' ILE . 37.1 m-20 -100.64 -52.67 3.27 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.809 1.04 . . . . 73.34 113.809 -178.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.5 mt-10 -98.69 -15.25 19.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.435 0.902 . . . . 71.44 113.435 -177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.483 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 25.0 mm -105.41 105.1 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.016 0.436 . . . . 72.42 111.483 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.6 p -62.91 167.42 4.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.939 -0.573 . . . . 70.31 110.83 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -60.17 -29.21 68.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.045 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.62 -44.13 67.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.463 -0.335 . . . . 72.33 111.287 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.58 78.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.447 -0.342 . . . . 64.24 110.973 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.448 ' CZ3' HG23 ' A' ' 31' ' ' ILE . 39.8 t-105 -64.38 -32.69 74.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.539 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.42 64.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 63.23 110.951 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.39 -35.54 25.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.106 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.445 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 16.9 t-105 -74.6 -52.43 11.81 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.074 -0.512 . . . . 73.42 110.1 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -43.77 -40.34 4.28 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.178 -0.464 . . . . 74.45 110.631 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.422 ' O ' HG23 ' A' ' 48' ' ' THR . 66.8 t60 -64.41 -47.9 77.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.708 -0.678 . . . . 71.33 110.289 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.524 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 4.0 tptt -72.38 -25.77 61.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.989 -0.55 . . . . 74.13 110.7 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -66.45 -56.58 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.96 0.41 . . . . 75.45 110.775 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 49' ' ' MET . 12.9 t -50.24 -39.95 46.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 74.14 111.855 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.441 ' N ' HG22 ' A' ' 48' ' ' THR . 4.3 ptm -78.22 -42.67 30.64 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.97 -0.292 . . . . 74.2 110.817 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 23.9 mt -54.84 -26.17 33.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 74.11 110.587 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.5 HD11 HD12 ' A' ' 67' ' ' LEU . 62.0 mt -84.53 -42.26 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 73.01 110.854 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -73.48 -36.01 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.928 -0.578 . . . . 75.53 111.383 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -52.77 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 72.53 111.385 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -77.6 -5.89 51.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.74 0.305 . . . . 71.11 111.019 179.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.9 mttt 62.09 62.58 1.19 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.879 0.371 . . . . 74.11 110.716 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD13 ' HG ' ' A' ' 67' ' ' LEU . 37.6 mt -90.11 -174.28 4.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.984 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -158.36 100.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 70.12 110.635 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -15.85 49.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.827 -0.624 . . . . 73.33 111.831 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -7.29 58.69 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.077 -0.249 . . . . 74.53 111.113 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.89 130.1 53.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.345 . . . . 73.54 110.718 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -58.69 -30.04 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.372 . . . . 75.0 110.943 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -58.46 -45.12 89.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.028 -0.533 . . . . 73.41 111.528 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -85.11 -36.99 20.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 65.41 110.466 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -50.57 -49.2 56.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 71.4 110.724 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -66.63 -24.85 66.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 61.24 110.848 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -50.06 67.29 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.025 -0.361 . . . . 65.44 110.025 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.5 HD12 HD11 ' A' ' 51' ' ' ILE . 4.3 mt -52.87 -43.75 66.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.275 0.56 . . . . 72.34 109.596 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.683 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 3.0 tt0 -53.47 -24.67 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.282 -0.872 . . . . 75.24 110.344 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.88 -45.08 29.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 75.11 110.71 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -67.88 -49.14 63.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 75.23 111.697 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.443 ' HA ' ' CE3' ' A' ' 43' ' ' TRP . 3.3 ptm -43.93 -37.49 2.91 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.546 -0.297 . . . . 72.11 111.538 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 80' ' ' GLU . 72.5 t -63.59 -61.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 73.42 110.735 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 4.8 t-20 -50.38 -19.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 64.34 111.462 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 25.0 t80 -95.2 -50.02 5.23 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.734 0.272 . . . . 74.22 111.734 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.413 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -102.74 -46.77 4.61 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.506 0.558 . . . . 74.13 112.506 -178.666 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.483 ' CZ ' HG12 ' A' ' 35' ' ' ILE . 81.9 m-85 -95.64 28.38 3.04 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 112.287 0.477 . . . . 73.34 112.287 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 23.2 tt0 -65.53 57.56 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.867 -0.606 . . . . 71.23 111.065 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . 161.33 -31.53 0.34 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.782 -0.723 . . . . 72.21 112.627 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -121.52 99.87 6.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.722 0.296 . . . . 73.2 110.565 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HG2' ' CG1' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -178.93 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 72.03 111.346 -179.743 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 81' ' ' VAL . 8.2 p -79.03 54.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.055 -0.521 . . . . 70.23 111.152 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -123.45 161.17 25.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.409 . . . . 72.21 110.946 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.5 mt -116.3 158.38 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 73.25 110.933 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.14 127.26 13.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 63.3 110.928 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.21 37.95 30.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 74.03 112.315 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -69.24 126.96 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 70.14 111.087 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.4 p -121.26 89.18 46.43 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 74.1 110.553 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.46 172.3 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.676 2.251 . . . . 70.12 112.476 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -43.49 73.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 73.11 110.656 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -124.46 121.64 35.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.632 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 120.74 2.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 51.34 110.779 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.73 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.827 0.346 . . . . 74.34 111.178 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.8 -43.52 0.06 OUTLIER Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.658 -0.782 . . . . 74.12 112.462 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.26 137.75 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 63.22 110.87 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -93.82 140.54 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 75.15 110.919 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -130.66 107.44 9.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.924 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 22.1 pt -91.39 -179.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 72.21 111.135 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 1.2 t80 -116.12 97.69 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.435 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 36.8 t -63.08 105.57 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 65.22 111.381 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.407 HG23 ' CD1' ' A' ' 35' ' ' ILE . 7.5 t -60.24 -17.59 42.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 74.14 111.432 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -74.52 -53.17 9.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.921 0.391 . . . . 73.04 110.164 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.19 -8.99 54.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 73.11 110.696 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 58.84 41.17 21.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.324 -0.398 . . . . 71.4 110.361 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -143.88 174.89 10.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 74.21 110.273 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.8 tt0 -95.38 117.08 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.946 0.403 . . . . 65.42 111.383 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.38 175.5 5.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.049 -0.523 . . . . 73.25 111.008 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -18.03 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.446 -0.343 . . . . 72.43 111.822 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.32 -167.9 22.21 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.636 -0.792 . . . . 53.22 112.633 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -113.88 179.67 3.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.793 0.33 . . . . 72.41 110.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.07 -22.3 7.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.231 -0.441 . . . . 63.02 111.54 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -128.9 142.98 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 75.5 111.104 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 25.8 tt0 -71.07 122.61 20.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 75.54 110.431 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.518 HD22 ' NE1' ' A' ' 40' ' ' TRP . 6.8 mp -86.22 -36.3 19.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 71.53 111.645 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.605 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -97.79 169.25 8.77 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.475 -0.33 . . . . 71.5 110.165 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.546 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 15.4 Cg_endo -93.39 -170.1 0.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.019 2.479 . . . . 65.33 112.986 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.02 -143.96 0.22 Allowed Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.352 -0.84 . . . . 62.31 114.522 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 2.2 mt-10 -81.35 -34.76 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.237 -0.481 . . . . 61.3 111.148 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.584 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -55.25 -47.63 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.783 0.325 . . . . 73.23 110.296 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.605 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -60.81 -31.29 75.25 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.141 -1.028 . . . . 70.33 111.678 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 16.9 mttm -64.73 -53.77 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.297 . . . . 74.43 110.334 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.3 ptm180 -58.84 -39.8 82.35 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.29 -0.414 . . . . 74.43 111.315 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.491 HD13 ' HA2' ' A' ' 28' ' ' GLY . 6.9 mt -65.29 -59.59 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.26 0.552 . . . . 75.33 110.075 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -18.56 56.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.528 -0.76 . . . . 75.01 110.714 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 83.8 m-20 -100.57 -45.41 5.53 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.94 0.718 . . . . 73.34 112.94 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' ARG . 29.6 mt-10 -100.97 -18.24 16.4 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.695 0.628 . . . . 71.44 112.695 -178.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.429 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 9.5 mm -109.14 126.66 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.947 0.403 . . . . 72.42 110.814 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.64 174.18 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 70.31 110.76 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -59.08 -34.99 72.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 71.22 110.859 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.63 -42.49 88.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.037 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.3 -45.53 19.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 64.24 111.179 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.518 ' NE1' HD22 ' A' ' 22' ' ' LEU . 66.8 t-105 -55.52 -38.53 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 75.41 110.691 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.72 81.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 63.23 110.299 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -68.6 -29.74 68.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.798 -0.637 . . . . 75.14 110.278 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' GLN . 23.0 t-105 -72.69 -50.35 25.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.072 -0.513 . . . . 73.42 110.627 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 9.1 mm100 -44.1 -51.75 7.74 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.996 0.427 . . . . 74.45 110.755 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -60.87 -51.96 67.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.878 -0.601 . . . . 71.33 110.54 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 20.4 tptt -66.2 -19.88 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.13 111.08 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' TRP . 31.9 tt0 -77.89 -56.97 4.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.865 0.364 . . . . 75.45 110.917 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -53.82 -35.33 61.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 74.14 111.601 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -37.29 50.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.328 . . . . 74.2 111.303 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 19.0 mt -58.0 -33.36 68.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.401 . . . . 74.11 110.742 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 56' ' ' LEU . 62.4 mt -73.8 -44.07 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.947 -0.57 . . . . 73.01 111.269 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -72.48 -28.53 62.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.209 -0.45 . . . . 75.53 111.028 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.24 -53.8 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 72.53 111.337 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 4.4 mptt -76.16 -2.2 29.92 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.48 -0.327 . . . . 71.11 111.409 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp 63.46 53.5 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 74.11 111.39 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 HD11 ' HG ' ' A' ' 67' ' ' LEU . 63.2 mt -88.69 174.88 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.415 -0.357 . . . . 75.54 110.218 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -150.39 105.1 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.963 0.411 . . . . 70.12 110.652 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -22.58 27.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 73.33 111.315 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.0 0.48 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.518 -0.31 . . . . 74.53 111.147 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -119.18 137.07 53.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.304 . . . . 73.54 110.723 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.98 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.415 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -35.15 76.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 73.41 111.261 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -85.41 -39.58 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 65.41 111.066 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -52.06 34.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.761 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -64.2 -29.03 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 61.24 110.811 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -46.4 90.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.354 . . . . 65.44 110.8 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' HG ' HD11 ' A' ' 56' ' ' LEU . 1.4 mt -59.81 -44.15 94.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.965 0.412 . . . . 72.34 110.248 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 9.7 mt-10 -56.85 -23.47 44.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.95 -0.568 . . . . 75.24 109.841 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -47.53 16.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.586 -0.734 . . . . 75.11 110.584 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.16 -43.08 96.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.959 -0.564 . . . . 75.23 111.204 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.461 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 6.0 ptm -47.85 -35.51 10.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.39 -0.368 . . . . 72.11 111.381 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' PHE . 98.9 t -63.14 -58.27 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 121.138 0.494 . . . . 73.42 109.845 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 53.2 t30 -49.7 -21.39 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 64.34 111.293 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -95.62 -49.1 5.53 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.422 -0.354 . . . . 74.22 111.875 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.23 -39.7 6.73 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.977 0.732 . . . . 74.13 112.977 -178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' VAL . 97.0 m-85 -105.9 28.5 7.52 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.089 0.403 . . . . 73.34 112.089 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.2 tt0 -65.84 58.35 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.905 -0.589 . . . . 71.23 111.293 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -175.77 -43.34 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.68 -0.771 . . . . 72.21 113.051 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.424 ' HB3' HG21 ' A' ' 81' ' ' VAL . 5.4 mmtt -73.65 -40.85 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 73.2 111.013 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 55.1 44.57 27.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 72.03 111.371 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' A' ' 79' ' ' LYS . 3.3 t -91.27 30.57 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 116.286 -0.415 . . . . 70.23 111.233 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -114.75 84.48 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 72.21 110.916 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.8 mt -94.03 132.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 73.25 111.135 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -133.97 173.14 11.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 63.3 110.756 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.15 -6.83 78.02 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.674 -0.774 . . . . 74.03 112.557 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.9 127.55 32.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.359 . . . . 70.14 110.81 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 t -134.07 84.37 42.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 74.1 110.828 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -84.54 15.77 2.11 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.777 2.318 . . . . 70.12 112.922 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -78.21 -28.45 48.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.829 0.347 . . . . 73.11 110.975 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.91 150.72 51.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 74.42 110.894 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -91.03 69.06 6.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 51.34 110.819 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.499 . . . . 74.24 111.059 -179.794 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 120.855 0.359 . . . . 74.34 111.299 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.22 -26.03 0.48 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 74.12 112.51 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -115.18 113.14 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.947 0.403 . . . . 63.22 110.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -96.4 160.59 14.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.747 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 m -109.18 119.34 39.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 75.42 110.72 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 pt -80.86 -179.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 72.21 111.04 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 3.6 t80 -116.21 100.3 7.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.27 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 18.2 t -62.28 146.15 51.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 65.22 110.738 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -96.36 -22.22 17.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.455 -0.338 . . . . 74.14 110.633 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 37.0 t80 -74.56 -45.57 44.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 73.04 110.187 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.4 -13.47 32.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 73.11 110.619 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 58.63 42.48 20.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.043 0.449 . . . . 71.4 110.193 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -143.7 -173.28 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.868 -0.606 . . . . 74.21 110.383 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 1.9 tt0 -103.15 115.76 31.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.4 -0.364 . . . . 65.42 110.712 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.05 171.61 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 73.25 111.34 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.63 -177.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.632 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.03 -176.65 14.5 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.759 . . . . 53.22 112.496 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.28 155.88 17.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 72.41 111.063 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.93 -26.85 28.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 63.02 111.546 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -150.26 143.95 25.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.39 . . . . 75.5 111.346 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 38.6 tt0 -60.43 120.69 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 75.54 110.672 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.0 -43.83 14.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 71.53 111.147 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.626 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -88.49 165.16 29.51 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.44 -0.345 . . . . 71.5 110.09 179.551 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.626 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.8 Cg_endo -92.03 -172.88 0.44 Allowed 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.847 2.364 . . . . 65.33 113.11 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.29 -142.97 0.61 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.163 -0.926 . . . . 62.31 114.452 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -81.16 -34.38 32.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.21 -0.495 . . . . 61.3 111.71 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -54.1 -50.72 66.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.994 0.426 . . . . 73.23 110.068 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.623 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -57.41 -34.46 68.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.528 -0.844 . . . . 70.33 111.911 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -62.08 -56.48 18.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.726 0.298 . . . . 74.43 110.698 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 11.7 ptp180 -57.53 -40.01 77.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.414 . . . . 74.43 111.265 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.482 HD11 ' HA2' ' A' ' 28' ' ' GLY . 7.7 mt -64.31 -61.13 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.438 0.637 . . . . 75.33 109.957 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -18.25 10.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.211 -0.904 . . . . 75.01 110.783 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -99.59 -53.91 3.07 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.056 0.761 . . . . 73.34 113.056 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.9 mm-40 -94.33 -19.51 20.59 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.449 0.537 . . . . 71.44 112.449 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.417 HG12 ' HA ' ' A' ' 31' ' ' ILE . 16.7 mm -103.23 97.19 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.845 0.355 . . . . 72.42 110.594 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.7 p -57.93 174.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.99 -0.55 . . . . 70.31 111.006 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -62.85 -35.38 79.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 71.22 110.882 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -41.42 89.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 72.33 111.261 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.96 -37.25 78.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.367 . . . . 64.24 111.013 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.481 ' CZ3' ' CD1' ' A' ' 43' ' ' TRP . 24.5 t-105 -65.02 -41.34 95.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.038 -0.528 . . . . 75.41 110.749 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.88 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 63.23 111.044 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -83.4 -27.11 29.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.591 . . . . 75.14 110.607 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.589 ' HZ2' ' HG ' ' A' ' 67' ' ' LEU . 17.7 t-105 -84.16 -46.92 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 73.42 110.578 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 10.6 mm-40 -47.64 -42.02 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.99 0.424 . . . . 74.45 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' O ' HG21 ' A' ' 48' ' ' THR . 28.9 t60 -66.58 -50.11 64.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.984 -0.553 . . . . 71.33 110.325 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 5.3 tptt -69.97 -19.57 63.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.269 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' TRP . 2.7 tt0 -78.07 -59.93 2.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.416 . . . . 75.45 111.209 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.405 HG21 ' O ' ' A' ' 45' ' ' HIS . 9.8 t -47.93 -30.11 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 74.14 112.064 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.512 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.5 -35.77 53.27 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 121.07 -0.252 . . . . 74.2 111.234 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 81.4 mt -65.97 -42.3 90.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 74.11 110.212 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.406 ' CG2' ' HB2' ' A' ' 56' ' ' LEU . 37.6 mt -62.39 -42.53 95.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.234 -0.439 . . . . 73.01 110.638 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -74.89 -36.83 62.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 75.53 111.005 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.54 -54.3 6.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 72.53 111.208 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.63 -9.93 59.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 71.11 110.808 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt 63.18 64.46 0.84 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.275 -0.42 . . . . 74.11 111.289 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 67.0 mt -88.77 -170.26 2.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.39 . . . . 75.54 110.154 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.09 97.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 70.12 110.967 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -19.93 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 73.33 111.451 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -86.03 13.68 7.3 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.574 0.226 . . . . 74.53 111.41 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.32 125.65 17.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.711 0.291 . . . . 73.54 110.585 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.31 -35.55 72.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 75.0 111.305 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -44.78 65.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.231 -0.44 . . . . 73.41 111.163 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -85.08 -39.26 18.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.21 -0.45 . . . . 65.41 110.817 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.8 -46.17 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.924 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -65.05 -30.81 71.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 61.24 110.616 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -43.1 71.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.298 -0.41 . . . . 65.44 110.494 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.589 ' HG ' ' HZ2' ' A' ' 43' ' ' TRP . 1.7 tp -59.5 -43.91 93.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 72.34 109.912 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 3.7 tm-20 -59.55 -20.73 57.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.887 -0.597 . . . . 75.24 110.324 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -80.56 -54.99 5.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.995 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.52 -45.96 84.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 75.23 111.396 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.537 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -45.05 -48.37 11.79 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.899 0.333 . . . . 72.11 111.899 -179.228 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.515 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 99.2 t -50.99 -57.98 2.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.955 0.407 . . . . 73.42 110.411 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -21.88 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.854 -0.612 . . . . 64.34 110.963 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.416 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 7.5 t80 -95.0 -52.72 4.1 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.242 0.46 . . . . 74.22 112.242 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mt -101.17 -48.61 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.708 0.633 . . . . 74.13 112.708 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.515 ' HB2' ' HA ' ' A' ' 72' ' ' VAL . 63.3 m-85 -92.04 27.04 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.252 0.464 . . . . 73.34 112.252 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.5 tt0 -68.18 58.59 0.08 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 120.985 0.422 . . . . 71.23 110.435 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.11 -64.69 0.24 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.822 -0.704 . . . . 72.21 112.779 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.46 85.5 7.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 73.2 111.2 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 76' ' ' PHE . 1.5 pp20? -178.81 -35.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 72.03 110.897 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.44 HG11 ' O ' ' A' ' 81' ' ' VAL . 6.4 p -69.67 68.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.769 -0.651 . . . . 70.23 110.801 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.96 163.36 12.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 72.21 111.11 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.5 mm -129.96 114.18 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 73.25 110.896 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -83.79 108.38 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 63.3 110.792 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.92 -33.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 74.03 112.526 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -91.92 158.83 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 70.14 110.984 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.89 115.88 65.84 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.1 110.584 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -68.91 127.25 14.98 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.564 2.176 . . . . 70.12 112.564 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.0 -35.36 23.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.11 110.735 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t0 60.66 83.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 74.42 110.94 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 62.47 166.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 51.34 110.959 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.3 mttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.914 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.864 0.364 . . . . 74.34 111.093 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.81 48.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 74.12 112.524 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -144.12 111.02 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 63.22 110.893 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 tpt85 -106.24 108.33 19.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.15 111.128 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -102.89 115.42 30.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.58 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.6 pt -80.48 -175.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 72.21 111.025 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 31.0 t80 -118.72 97.03 5.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.654 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 17.3 t -59.07 144.16 46.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 65.22 110.27 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -97.58 -21.44 17.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.061 0.457 . . . . 74.14 110.641 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -74.24 -45.42 48.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.974 -0.557 . . . . 73.04 109.805 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.22 -16.61 32.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.841 -0.618 . . . . 73.11 110.63 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 61.77 40.56 12.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 71.4 110.164 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.31 -172.03 3.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 74.21 110.434 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 12.1 tt0 -103.64 116.13 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 65.42 110.627 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.38 167.27 22.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 73.25 111.247 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -66.46 165.37 14.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.741 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.25 -168.84 12.82 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.706 -0.759 . . . . 53.22 112.447 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.79 176.96 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 72.41 110.921 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.7 -26.88 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 63.02 111.328 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -123.52 130.91 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 75.5 111.145 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 49.9 tt0 -61.22 118.67 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.54 110.448 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.411 HD12 ' NE1' ' A' ' 40' ' ' TRP . 11.1 mt -80.82 -44.09 19.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 71.53 111.771 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.29 169.5 12.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 71.5 110.487 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -92.3 -172.78 0.42 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.043 2.495 . . . . 65.33 113.053 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.17 -142.78 0.2 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.257 -0.883 . . . . 62.31 114.51 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -81.35 -36.47 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.352 -0.424 . . . . 61.3 111.265 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -49.71 -52.52 30.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.404 . . . . 73.23 110.401 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.588 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -59.0 -34.25 78.07 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.505 -0.855 . . . . 70.33 112.073 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -54.87 35.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.605 0.24 . . . . 74.43 110.792 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.72 -39.33 80.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.561 -0.29 . . . . 74.43 111.254 -179.816 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.472 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 11.0 mt -63.87 -61.52 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 CA-C-O 121.457 0.646 . . . . 75.33 109.923 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -55.7 -18.19 7.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.965 -1.016 . . . . 75.01 110.172 179.049 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -98.31 -53.43 3.35 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.28 0.844 . . . . 73.34 113.28 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 1.2 mt-10 -94.47 -17.82 22.08 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.057 0.762 . . . . 71.44 113.057 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.409 HG12 ' CE1' ' A' ' 76' ' ' PHE . 19.3 mm -104.4 125.55 59.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.379 . . . . 72.42 110.749 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 p -82.22 179.41 7.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 70.31 111.055 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -68.15 -30.97 70.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.887 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.21 -41.02 77.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 72.33 110.974 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.06 -38.29 63.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 64.24 111.192 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.472 ' CZ3' HG23 ' A' ' 31' ' ' ILE . 61.0 t-105 -63.29 -39.0 93.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.873 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.58 -25.02 67.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 63.23 110.898 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -78.88 -37.31 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.068 -0.515 . . . . 75.14 110.576 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' GLN . 24.6 t-105 -69.66 -49.08 57.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 73.42 110.366 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -44.52 -40.69 5.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.083 0.468 . . . . 74.45 110.656 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -69.38 -49.41 55.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 71.33 110.33 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 2.1 tptm -70.64 -19.48 62.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 74.13 110.774 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' TRP . 2.5 tt0 -75.23 -56.81 4.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.435 . . . . 75.45 111.122 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -56.14 -32.55 64.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 74.14 111.941 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -76.68 -33.11 58.27 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.026 -0.269 . . . . 74.2 110.738 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 36.7 mt -60.84 -54.17 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.939 -0.393 . . . . 74.11 109.939 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.647 ' CG1' ' HB2' ' A' ' 56' ' ' LEU . 2.8 mt -56.31 -33.05 36.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 73.01 110.654 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -65.96 -54.66 23.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.052 -0.522 . . . . 75.53 111.092 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.12 -54.35 6.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 72.53 111.513 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -64.42 -14.75 58.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.562 -0.29 . . . . 71.11 111.14 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 63.98 62.13 0.9 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.039 0.447 . . . . 74.11 110.516 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.647 ' HB2' ' CG1' ' A' ' 51' ' ' ILE . 67.7 mt -95.42 -173.47 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.876 -0.602 . . . . 75.54 110.528 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -160.34 101.28 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 70.12 110.954 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.455 ' HE1' ' CD1' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -63.12 -12.44 27.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 73.33 111.377 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -30.04 40.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 74.53 110.519 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -96.05 146.45 24.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 73.54 110.758 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.77 -34.88 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 75.0 111.416 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -54.09 -42.25 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 73.41 111.181 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -85.68 -38.65 18.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 65.41 111.016 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -48.45 -49.35 35.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 71.4 110.926 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -25.03 64.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 61.24 110.703 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -42.34 88.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.796 0.331 . . . . 65.44 110.275 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mt -58.52 -35.27 72.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.058 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.477 ' HA ' ' SD ' ' A' ' 71' ' ' MET . 58.7 mt-10 -58.74 -20.37 48.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 75.24 110.246 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -81.01 -51.04 8.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.88 -0.6 . . . . 75.11 111.607 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.05 -48.1 72.17 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.102 0.408 . . . . 75.23 112.102 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.482 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 4.3 ptm -46.05 -30.7 1.96 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.588 0.233 . . . . 72.11 111.507 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 76' ' ' PHE . 99.0 t -65.55 -58.74 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 73.42 110.238 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -50.33 -20.28 1.04 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 64.34 111.289 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -95.4 -50.49 4.98 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.37 -0.377 . . . . 74.22 111.879 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 -45.46 4.93 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.219 0.452 . . . . 74.13 112.219 -178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 37.4 m-85 -96.69 28.32 3.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.94 0.348 . . . . 73.34 111.94 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -68.1 60.76 0.08 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.86 -0.609 . . . . 71.23 110.842 -179.444 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -165.97 -34.76 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.537 -0.756 . . . . 72.21 111.985 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -56.75 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 73.2 110.852 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 54.45 71.67 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.985 0.421 . . . . 72.03 110.401 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.9 t -86.5 28.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.014 -0.539 . . . . 70.23 111.942 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -114.59 94.23 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 72.21 110.838 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.5 mp -82.45 138.97 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.01 -0.541 . . . . 73.25 111.223 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -125.66 160.28 30.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 63.3 110.863 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.77 43.11 98.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 74.03 112.431 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -89.22 114.29 25.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 70.14 110.882 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.19 105.83 57.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.9 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.09 117.8 5.27 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.505 2.137 . . . . 70.12 112.351 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.47 -41.39 96.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.32 -0.4 . . . . 73.11 110.655 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -123.95 164.32 19.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 74.42 110.555 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -150.73 99.09 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 51.34 111.091 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 74.24 110.657 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 120.822 0.344 . . . . 74.34 111.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.08 141.98 3.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.812 -0.709 . . . . 74.12 112.458 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.45 147.14 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 63.22 110.792 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.88 158.63 17.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.927 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -134.35 108.13 8.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 75.42 110.727 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.424 HD12 ' HA2' ' A' ' 17' ' ' GLY . 22.7 pt -83.56 -177.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 72.21 111.341 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -121.11 96.44 5.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 72.41 110.483 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 32.9 t -59.0 148.65 29.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.94 -0.573 . . . . 65.22 110.818 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 t -100.03 -21.65 15.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 74.14 110.915 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 48.7 t80 -74.27 -46.54 40.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.224 -0.444 . . . . 73.04 109.911 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.431 HD11 ' HB3' ' A' ' 38' ' ' GLU . 2.0 mt -92.8 -13.48 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 73.11 110.686 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 58.62 41.92 21.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.012 0.434 . . . . 71.4 110.552 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -140.89 -179.8 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.975 -0.557 . . . . 74.21 110.129 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -99.57 110.48 22.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.74 0.305 . . . . 65.42 110.844 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.94 177.63 4.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.297 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -33.66 72.38 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.23 0.538 . . . . 72.43 110.569 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' HA2' HD12 ' A' ' 6' ' ' ILE . . . 87.63 161.08 36.31 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.298 -0.864 . . . . 53.22 112.676 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -73.47 174.73 7.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.789 0.328 . . . . 72.41 110.814 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.04 -28.35 8.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 63.02 111.176 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' ' 22' ' ' LEU . 21.7 p90 -146.82 148.45 31.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.363 -0.38 . . . . 75.5 111.189 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.91 119.57 9.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 75.54 110.827 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.423 ' CD2' ' CE1' ' A' ' 20' ' ' PHE . 27.7 mt -87.32 -40.58 14.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 71.53 111.056 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.604 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -88.31 165.06 30.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.876 -0.416 . . . . 71.5 109.876 179.224 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 19.3 Cg_endo -90.46 -170.51 0.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.702 2.268 . . . . 65.33 112.562 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 39.31 -144.08 0.34 Allowed Glycine 0 N--CA 1.454 -0.162 0 CA-C-N 115.558 -0.746 . . . . 62.31 114.473 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -33.94 32.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.337 -0.432 . . . . 61.3 111.363 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD12 HD13 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -53.63 -49.68 67.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.353 -0.385 . . . . 73.23 110.738 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.604 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -60.32 -31.78 74.9 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.294 -0.955 . . . . 70.33 111.694 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -51.34 67.71 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.12 -0.232 . . . . 74.43 110.748 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -65.04 -41.49 95.15 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.58 -0.282 . . . . 74.43 111.624 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.52 HD13 HD12 ' A' ' 27' ' ' LEU . 9.1 mt -59.62 -62.98 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.498 0.666 . . . . 75.33 109.791 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.36 -18.39 2.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.106 -0.952 . . . . 75.01 110.3 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -94.56 -55.11 3.26 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.852 0.686 . . . . 73.34 112.852 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.1 mm-40 -96.8 -17.87 19.95 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.179 0.807 . . . . 71.44 113.179 -177.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.413 ' HB ' HG22 ' A' ' 31' ' ' ILE . 14.8 mm -103.89 96.3 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.935 0.398 . . . . 72.42 111.022 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -59.55 169.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 70.31 111.0 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -60.47 -34.76 74.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.064 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -61.64 -48.49 80.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.051 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.71 -36.51 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.97 0.414 . . . . 64.24 110.682 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CZ3' ' CD1' ' A' ' 43' ' ' TRP . 50.3 t-105 -61.96 -39.77 93.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 75.41 110.603 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.69 67.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 63.23 110.982 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -82.36 -30.72 30.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.14 109.967 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 13.1 t-105 -73.35 -49.01 29.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.998 -0.546 . . . . 73.42 109.845 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -49.49 -36.29 22.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.944 -0.571 . . . . 74.45 110.559 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -68.01 -40.1 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.775 -0.648 . . . . 71.33 110.5 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 49' ' ' MET . 11.4 tptt -83.21 -19.83 35.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 74.13 110.708 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' TRP . 1.7 tt0 -75.3 -51.93 12.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 75.45 110.831 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 t -56.49 -33.32 65.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.996 -0.547 . . . . 74.14 111.942 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -81.19 -37.9 27.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.684 0.278 . . . . 74.2 111.325 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 26.6 mt -60.1 -35.07 74.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.941 0.401 . . . . 74.11 110.503 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 56' ' ' LEU . 67.2 mt -74.25 -47.77 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 73.01 110.95 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -69.4 -29.27 66.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.093 -0.503 . . . . 75.53 111.232 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -84.14 -54.02 5.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.485 -0.325 . . . . 72.53 111.082 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.63 -6.6 54.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.51 -0.314 . . . . 71.11 110.771 179.657 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.12 59.18 1.69 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.353 -0.385 . . . . 74.11 111.091 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 28.1 mt -82.53 -171.99 3.79 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.347 -0.388 . . . . 75.54 110.415 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -156.53 98.74 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.798 0.332 . . . . 70.12 110.793 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.415 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -62.8 -14.89 50.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 73.33 111.861 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -24.43 42.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 74.53 110.522 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -105.62 128.38 53.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.52 . . . . 73.54 110.641 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.36 -27.95 67.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 75.0 111.284 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -55.35 -44.65 76.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 73.41 110.74 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -85.4 -34.92 21.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 65.41 110.514 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -52.54 -49.21 65.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 71.4 110.253 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -30.62 71.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.857 -0.61 . . . . 61.24 110.508 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.05 -44.76 95.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.403 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.425 HD11 HD13 ' A' ' 51' ' ' ILE . 2.2 mt -57.51 -41.31 80.54 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.99 0.424 . . . . 72.34 110.123 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.459 ' CG ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -54.98 -22.16 14.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 75.24 110.357 179.233 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -79.92 -49.58 11.69 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.069 -0.514 . . . . 75.11 111.089 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.1 -41.36 98.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.52 . . . . 75.23 111.619 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.453 ' CE ' HD13 ' A' ' 31' ' ' ILE . 5.7 ptm -55.29 -32.19 62.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.562 0.22 . . . . 72.11 111.065 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 58.4 t -66.19 -62.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.977 0.418 . . . . 73.42 110.494 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.3 t30 -50.98 -18.98 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 64.34 111.162 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.43 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 14.9 t80 -95.27 -51.52 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.536 -0.302 . . . . 74.22 111.399 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.34 -45.6 4.83 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.859 0.688 . . . . 74.13 112.859 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.476 ' HB2' ' HA ' ' A' ' 72' ' ' VAL . 34.8 m-85 -95.89 28.3 3.17 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.051 0.389 . . . . 73.34 112.051 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -68.78 57.92 0.09 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.101 -0.5 . . . . 71.23 111.226 -179.369 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.65 -21.02 0.71 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.583 -0.818 . . . . 72.21 112.769 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.67 22.3 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.95 0.405 . . . . 73.2 110.38 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.53 61.65 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.923 -0.58 . . . . 72.03 110.011 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.5 t -86.88 66.85 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.813 -0.63 . . . . 70.23 110.91 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.49 ' CE1' ' CG ' ' A' ' 84' ' ' GLU . 3.8 p80 -118.92 161.2 20.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.981 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 mt -88.31 128.49 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 73.25 111.326 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.49 ' CG ' ' CE1' ' A' ' 82' ' ' HIS . 30.8 mm-40 -135.54 124.45 24.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 63.3 110.648 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.29 50.73 1.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.605 -0.807 . . . . 74.03 112.234 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.471 ' O ' ' HD3' ' A' ' 88' ' ' PRO . 12.7 p90 -102.09 127.26 49.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.671 0.272 . . . . 70.14 110.76 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.7 p -74.3 107.18 3.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.1 111.067 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 86' ' ' TYR . 56.9 Cg_endo -69.94 74.21 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.377 2.052 . . . . 70.12 112.418 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.1 -45.97 54.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.015 0.436 . . . . 73.11 110.555 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' A' ' 92' ' ' LYS . 2.2 t70 69.69 -73.1 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.827 -0.624 . . . . 74.42 111.046 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 71.71 -33.94 0.28 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.458 -0.337 . . . . 51.34 111.479 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.141 0 CA-C-O 120.842 0.353 . . . . 74.24 110.978 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 120.764 0.316 . . . . 74.34 111.446 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.26 -162.96 20.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.463 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.94 119.12 33.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.788 0.327 . . . . 63.22 110.872 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -110.43 117.54 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 75.15 110.906 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -128.96 110.19 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.612 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 pt -85.65 -176.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 72.21 111.462 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 7.3 t80 -123.48 99.99 6.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.685 -0.689 . . . . 72.41 109.657 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.0 t -60.56 147.89 39.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.373 -0.376 . . . . 65.22 110.979 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -97.0 -26.22 15.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.674 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -74.43 -40.67 61.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.144 0.497 . . . . 73.04 109.778 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 mt -93.16 -18.9 22.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.587 -0.733 . . . . 73.11 110.516 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 59.2 41.93 19.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.349 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.48 -175.74 4.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.81 -0.632 . . . . 74.21 110.119 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 8.3 tt0 -105.04 115.26 29.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 65.42 110.909 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.64 -177.6 3.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.474 . . . . 73.25 111.169 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.99 -15.91 57.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 72.43 111.471 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.66 172.5 1.21 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.795 -0.716 . . . . 53.22 112.764 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -76.51 -178.59 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 72.41 110.859 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.31 -25.41 5.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 63.02 111.58 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 2.3 p90 -143.6 146.44 33.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.354 . . . . 75.5 111.085 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -72.13 125.25 26.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 75.54 111.118 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 20' ' ' PHE . 1.3 mt -102.38 -36.87 8.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 71.53 111.032 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.735 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -85.99 169.32 15.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 71.5 110.764 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.735 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 4.2 Cg_endo -44.61 -173.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.764 2.976 . . . . 65.33 113.779 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.62 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.518 0.262 0 N-CA-C 115.609 1.004 . . . . 62.31 115.609 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.81 -55.59 33.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.004 0.742 . . . . 61.3 113.004 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 4.5 mt -61.03 -55.7 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.582 -0.447 . . . . 73.23 111.346 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.627 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -53.92 -23.32 22.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.988 -1.101 . . . . 70.33 112.632 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -52.79 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.615 0.245 . . . . 74.43 110.586 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.1 ptp180 -61.04 -36.89 80.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.492 -0.322 . . . . 74.43 110.971 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.582 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 4.4 mt -68.39 -47.61 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-O 121.486 0.66 . . . . 75.33 109.764 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.488 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -69.11 -18.65 64.0 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.217 -0.901 . . . . 75.01 110.38 179.181 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -100.79 -48.08 4.6 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.125 0.787 . . . . 73.34 113.125 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 39.3 mm-40 -97.76 -20.04 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.991 0.737 . . . . 71.44 112.991 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.484 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 16.9 mm -106.59 128.29 61.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.091 0.472 . . . . 72.42 111.131 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.7 p -87.6 179.66 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 70.31 110.375 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -68.3 -28.82 67.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.865 0.364 . . . . 71.22 110.82 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.82 -46.67 84.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.204 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.12 64.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.412 -0.358 . . . . 64.24 111.208 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.44 ' CE3' HG23 ' A' ' 31' ' ' ILE . 67.0 t-105 -60.77 -32.92 72.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.4 . . . . 75.41 110.699 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.48 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 63.23 110.752 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -73.52 -37.6 65.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.131 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' O ' ' N ' ' A' ' 47' ' ' GLN . 21.6 t-105 -67.83 -49.06 64.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.772 -0.649 . . . . 73.42 110.525 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.69 -44.83 38.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 74.45 111.29 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -66.53 -38.68 87.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.959 0.409 . . . . 71.33 110.433 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 49' ' ' MET . 1.6 tppt? -80.98 -19.3 44.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.01 -0.541 . . . . 74.13 110.654 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' TRP . 23.0 tt0 -74.73 -50.0 19.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.307 -0.406 . . . . 75.45 111.124 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -55.28 -36.94 66.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 74.14 111.928 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -73.83 -33.15 64.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.615 0.245 . . . . 74.2 111.294 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 83.8 mt -63.95 -41.56 97.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.971 0.415 . . . . 74.11 110.462 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.499 HD12 HD13 ' A' ' 67' ' ' LEU . 73.8 mt -65.6 -42.68 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.076 -0.511 . . . . 73.01 111.075 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -74.24 -28.91 61.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.165 -0.471 . . . . 75.53 111.11 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -84.9 -54.38 4.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.305 -0.407 . . . . 72.53 111.002 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' CD ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -76.93 -7.61 55.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 71.11 110.827 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt 62.94 63.07 0.98 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.976 0.417 . . . . 74.11 110.872 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 40.1 mt -89.39 -172.18 3.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.009 -0.541 . . . . 75.54 110.645 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -158.53 104.8 1.82 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.417 . . . . 70.12 110.774 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.402 ' HE3' ' CD1' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -61.07 -19.18 61.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 73.33 111.39 -179.543 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -21.71 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 74.53 110.707 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -98.25 134.04 41.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.737 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.15 -24.39 63.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 75.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -36.38 80.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 73.41 111.197 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' A' ' 57' ' ' ASN . 50.7 m170 -85.47 -39.87 17.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 65.41 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -46.65 62.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.011 0.434 . . . . 71.4 110.242 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -70.79 -19.28 62.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.806 -0.634 . . . . 61.24 110.701 179.297 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.81 -38.69 53.47 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.626 -0.509 . . . . 65.44 109.626 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.499 HD13 HD12 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -64.23 -51.61 62.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.647 -0.706 . . . . 72.34 109.892 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 9.7 pt-20 -54.19 -23.73 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.73 -0.668 . . . . 75.24 110.15 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -47.41 45.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.808 -0.633 . . . . 75.11 110.293 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -63.78 -46.36 85.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.889 -0.596 . . . . 75.23 110.472 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.438 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -46.98 -37.03 8.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.763 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' GLU . 89.8 t -58.92 -59.49 3.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.21 0.528 . . . . 73.42 110.262 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 7.5 t30 -52.01 -19.82 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.613 -0.721 . . . . 64.34 111.453 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.447 ' CE1' ' HE2' ' A' ' 46' ' ' LYS . 41.5 t80 -95.17 -48.88 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.572 -0.285 . . . . 74.22 111.745 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.53 -45.99 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.651 0.611 . . . . 74.13 112.651 -178.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.582 ' HZ ' ' HA ' ' A' ' 31' ' ' ILE . 47.3 m-85 -99.75 28.52 4.67 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 112.504 0.557 . . . . 73.34 112.504 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -66.17 55.45 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.933 -0.576 . . . . 71.23 110.988 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . 174.43 -51.29 0.14 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.261 -0.971 . . . . 72.21 114.052 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.4 ' C ' ' HG2' ' A' ' 80' ' ' GLU . 11.1 mmtm -79.06 20.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.086 0.443 . . . . 73.2 111.687 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.415 ' HG3' ' HB3' ' A' ' 76' ' ' PHE . 1.6 mm-40 -140.1 -42.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.211 0.529 . . . . 72.03 110.645 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.409 ' O ' HG11 ' A' ' 81' ' ' VAL . 7.1 p -78.62 108.44 12.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.382 -0.826 . . . . 70.23 111.338 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -123.05 146.0 48.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.824 -0.625 . . . . 72.21 110.126 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -104.69 111.79 35.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 73.25 111.558 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.71 115.66 13.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 63.3 110.712 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.7 -8.03 15.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.643 -0.789 . . . . 74.03 112.83 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.91 140.81 49.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.788 0.327 . . . . 70.14 110.718 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 p -121.44 78.56 36.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.1 111.148 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.6 -21.33 5.18 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.562 2.175 . . . . 70.12 112.258 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.95 -61.02 2.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 73.11 111.031 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.15 163.1 12.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.42 111.121 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -129.56 166.92 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 51.34 110.818 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.344 -0.389 . . . . 74.24 110.69 179.733 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.826 0.346 . . . . 74.34 111.187 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.98 121.68 0.6 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.634 -0.793 . . . . 74.12 112.67 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -161.04 136.3 7.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.34 . . . . 63.22 110.763 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 8.3 ttm105 -103.48 82.32 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 75.15 111.17 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -126.68 112.03 14.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 75.42 110.398 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 pt -81.83 -174.77 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.061 0.458 . . . . 72.21 111.391 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -126.28 102.85 7.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.68 -0.691 . . . . 72.41 109.713 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.668 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 22.9 t -63.46 150.99 42.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.442 -0.344 . . . . 65.22 111.167 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -100.77 -25.27 14.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.355 -0.384 . . . . 74.14 110.684 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 74' ' ' PHE . 40.7 t80 -74.08 -46.16 44.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 73.04 109.897 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.19 -19.17 24.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.771 -0.65 . . . . 73.11 110.443 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 61.82 40.91 12.29 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.129 -0.487 . . . . 71.4 110.362 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -137.36 -172.79 3.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.916 -0.584 . . . . 74.21 110.606 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -107.86 118.15 35.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 65.42 110.486 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.67 169.88 11.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 73.25 111.474 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -12.64 61.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.94 -0.573 . . . . 72.43 111.43 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.33 161.71 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 53.22 112.505 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -76.19 -178.58 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 72.41 110.867 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -117.59 -25.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 63.02 111.416 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -137.13 141.14 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.442 -0.345 . . . . 75.5 111.128 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' HA ' ' HB2' ' A' ' 32' ' ' TYR . 19.6 tt0 -58.96 111.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 75.54 110.763 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.41 -40.88 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 71.53 111.02 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.731 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -96.32 167.41 12.4 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 71.5 110.205 179.587 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.731 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 20.8 Cg_endo -91.5 -169.96 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.944 2.43 . . . . 65.33 112.694 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.41 -143.0 0.21 Allowed Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.409 -0.814 . . . . 62.31 114.723 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -44.72 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.199 -0.5 . . . . 61.3 111.882 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.447 HD11 ' HE3' ' A' ' 71' ' ' MET . 2.7 mt -49.21 -46.35 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 73.23 110.384 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.587 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -60.02 -34.48 83.71 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.62 -0.8 . . . . 70.33 111.875 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -62.75 -55.36 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.882 0.372 . . . . 74.43 110.213 179.096 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 2.2 ptp180 -57.27 -42.3 81.35 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.86 -0.609 . . . . 74.43 111.573 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.522 HD13 ' HA2' ' A' ' 28' ' ' GLY . 5.8 mt -62.63 -58.19 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 121.436 0.636 . . . . 75.33 109.588 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.433 ' HB2' ' HA ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -60.1 -18.28 45.96 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.073 -0.967 . . . . 75.01 110.566 178.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 51.2 m-20 -97.4 -56.24 2.59 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.777 0.658 . . . . 73.34 112.777 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.668 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.1 mm-40 -94.51 -20.84 19.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.533 0.568 . . . . 71.44 112.533 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mm -102.28 135.56 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.885 0.374 . . . . 72.42 110.756 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -100.95 175.5 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 70.31 111.183 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -59.22 -40.85 87.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 71.22 110.768 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.25 -44.89 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 72.33 110.731 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -37.41 72.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 64.24 111.014 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.42 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 34.7 t-105 -64.63 -37.05 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.41 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.65 -19.59 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 63.23 110.923 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -83.33 -27.72 29.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.337 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.484 ' CZ2' ' HG ' ' A' ' 67' ' ' LEU . 24.4 t-105 -81.87 -52.19 7.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.133 -0.485 . . . . 73.42 109.995 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -48.6 -42.64 34.58 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.065 -0.516 . . . . 74.45 110.756 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 48' ' ' THR . 32.8 t60 -65.28 -29.59 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.143 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 49' ' ' MET . 5.8 tptm -86.44 -21.21 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 74.13 110.536 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -68.7 -47.33 66.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 75.45 110.406 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 45' ' ' HIS . 8.8 t -57.74 -44.75 86.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 74.14 111.665 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 3.9 ptp -72.09 -42.22 66.39 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 111.733 0.271 . . . . 74.2 111.733 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 59.5 mt -57.9 -44.54 86.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 74.11 110.614 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.47 -38.94 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.114 -0.494 . . . . 73.01 110.964 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -76.54 -30.9 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 75.53 111.297 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -85.57 -54.29 4.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.605 -0.271 . . . . 72.53 110.903 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.95 -8.85 57.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.472 -0.331 . . . . 71.11 110.6 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 62.77 63.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.409 . . . . 74.11 110.838 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' HA ' ' ND1' ' A' ' 63' ' ' HIS . 72.9 mt -91.29 -174.93 4.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 75.54 110.429 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -152.28 106.16 3.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.402 . . . . 70.12 110.984 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.481 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.11 -20.96 28.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 73.33 111.22 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -21.13 35.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.535 -0.302 . . . . 74.53 110.812 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -96.38 130.1 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 73.54 110.801 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.25 95.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 75.0 111.37 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -36.51 66.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 73.41 110.991 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.404 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 27.0 m170 -85.3 -36.73 20.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.035 -0.529 . . . . 65.41 110.729 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.521 ' HA ' HH11 ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.26 -45.51 83.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.021 0.439 . . . . 71.4 110.098 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -73.72 -17.81 61.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.795 -0.639 . . . . 61.24 110.474 179.275 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -39.47 67.29 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.458 -0.571 . . . . 65.44 109.458 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.484 ' HG ' ' CZ2' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -64.33 -52.06 60.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 72.34 109.813 179.118 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 7.2 pt-20 -55.92 -24.36 37.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.764 -0.653 . . . . 75.24 110.093 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -70.59 -43.83 68.59 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.76 -0.655 . . . . 75.11 110.539 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.91 -39.07 66.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.028 -0.533 . . . . 75.23 110.654 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.539 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -50.46 -37.11 36.66 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.336 -0.393 . . . . 72.11 110.885 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.455 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 84.2 t -61.35 -60.84 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 CA-C-O 121.036 0.446 . . . . 73.42 110.167 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 2.0 t-20 -50.41 -19.06 0.75 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 64.34 111.003 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CE2' ' CZ ' ' A' ' 10' ' ' PHE . 24.4 t80 -95.02 -50.43 5.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 74.22 111.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.24 -48.57 3.97 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.392 0.516 . . . . 74.13 112.392 -178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 41.3 m-85 -93.91 28.66 2.33 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.941 0.4 . . . . 73.34 112.068 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.7 tt0 -66.94 60.25 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.729 -0.668 . . . . 71.23 110.804 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.17 -35.89 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.66 -0.781 . . . . 72.21 112.772 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -22.65 28.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.661 0.267 . . . . 73.2 111.386 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 64.36 85.58 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.42 -0.354 . . . . 72.03 111.167 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.9 t -96.96 96.7 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.266 -0.425 . . . . 70.23 111.025 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -88.59 175.83 7.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.27 -0.423 . . . . 72.21 111.09 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 84' ' ' GLU . 2.3 mp -86.72 146.42 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 73.25 110.921 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 83' ' ' ILE . 3.0 mt-10 -109.01 102.6 11.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 63.3 111.198 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.92 86.36 0.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.764 -0.731 . . . . 74.03 113.031 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -88.33 153.24 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.68 0.276 . . . . 70.14 110.612 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.37 102.48 5.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 74.1 111.159 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.74 -13.49 26.96 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.486 2.124 . . . . 70.12 112.527 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -51.24 14.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.826 0.346 . . . . 73.11 110.91 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.09 175.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.42 111.031 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -113.61 -69.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 51.34 110.969 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.314 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.603 0.24 . . . . 74.34 111.323 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.28 119.75 1.15 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.591 -0.814 . . . . 74.12 112.828 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.59 154.27 44.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 63.22 110.771 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.77 81.55 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 75.15 110.825 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 m -133.14 108.01 8.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 75.42 110.733 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.1 pt -84.3 -176.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 72.21 111.192 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -121.74 98.96 6.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 72.41 109.991 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.7 t -60.82 148.4 39.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 65.22 110.842 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.6 t -98.04 -25.15 15.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 74.14 110.765 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -74.26 -43.99 54.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.034 0.445 . . . . 73.04 109.827 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 mt -89.67 -21.52 22.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.756 -0.656 . . . . 73.11 110.423 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 62.84 40.66 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 71.4 110.364 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.83 -177.28 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.893 -0.594 . . . . 74.21 110.175 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -100.37 110.48 22.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.812 0.339 . . . . 65.42 110.665 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.82 170.87 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 73.25 111.509 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -63.59 -27.55 69.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.026 -0.534 . . . . 72.43 111.163 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.94 161.22 6.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.899 -0.667 . . . . 53.22 112.674 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -64.54 -179.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 72.41 110.994 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.39 -28.04 6.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 63.02 110.804 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' A' ' 22' ' ' LEU . 21.1 p90 -146.33 153.05 40.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 75.5 110.747 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 48.2 tt0 -62.27 124.33 20.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 75.54 111.044 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' N ' HD13 ' A' ' 22' ' ' LEU . 10.6 mp -92.45 -41.11 10.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.53 111.022 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.615 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -93.04 167.75 13.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 71.5 110.04 179.473 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.9 Cg_endo -90.93 -172.06 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.69 2.26 . . . . 65.33 112.798 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.47 -142.92 0.96 Allowed Glycine 0 N--CA 1.453 -0.229 0 CA-C-N 115.433 -0.803 . . . . 62.31 114.374 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.28 -35.63 30.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.245 -0.478 . . . . 61.3 111.38 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.699 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -53.88 -49.45 68.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.038 -0.528 . . . . 73.23 110.858 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.615 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -61.54 -32.51 81.52 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.13 -1.033 . . . . 70.33 111.657 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 42.9 mttt -66.11 -43.38 87.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.686 0.279 . . . . 74.43 110.323 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.7 ptp180 -69.9 -39.81 76.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.42 -0.355 . . . . 74.43 111.161 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.467 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 6.6 mt -62.82 -52.92 53.54 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 121.592 0.71 . . . . 75.33 109.761 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -17.99 58.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.848 -1.069 . . . . 75.01 110.218 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 1.6 m-80 -97.19 -50.72 4.47 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.554 0.576 . . . . 73.34 112.554 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.1 mm-40 -98.94 -15.42 19.14 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.987 0.736 . . . . 71.44 112.987 -177.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 31' ' ' ILE . 19.4 mm -112.11 106.58 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.844 0.354 . . . . 72.42 111.373 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 t -68.54 176.82 2.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 70.31 110.71 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -66.15 -29.3 69.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 71.22 111.077 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -44.37 76.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 72.33 111.116 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.58 -35.01 67.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.43 -0.35 . . . . 64.24 111.15 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.5 t-105 -63.45 -33.88 76.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.35 -0.386 . . . . 75.41 110.754 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.4 -27.12 68.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 63.23 110.798 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -78.46 -33.85 48.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.114 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.536 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 31.4 t-105 -75.66 -51.93 11.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 73.42 110.244 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -48.91 -36.7 17.84 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.13 0.49 . . . . 74.45 110.249 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.445 ' O ' HG22 ' A' ' 48' ' ' THR . 18.7 t60 -70.25 -29.69 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.672 -0.695 . . . . 71.33 110.336 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -85.56 -25.91 26.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.236 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.53 -48.15 65.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.0 -0.545 . . . . 75.45 110.406 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 45' ' ' HIS . 7.0 t -54.01 -45.44 71.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 74.14 111.286 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.3 ptp -72.09 -41.96 66.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.67 0.271 . . . . 74.2 110.748 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.635 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 27.2 mt -57.59 -30.15 65.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.358 . . . . 74.11 110.368 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.528 ' CG1' HD21 ' A' ' 67' ' ' LEU . 96.2 mt -84.85 -39.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 73.01 111.148 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -73.66 -31.84 63.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.499 . . . . 75.53 111.46 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.01 -54.35 4.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.594 -0.276 . . . . 72.53 111.407 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.15 -8.74 55.56 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.725 0.297 . . . . 71.11 110.932 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt 67.72 58.81 0.49 Allowed 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.863 0.363 . . . . 74.11 110.938 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 51' ' ' ILE . 77.2 mt -96.45 -172.31 2.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 75.54 110.367 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -156.48 122.18 4.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.866 0.365 . . . . 70.12 110.634 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -13.17 62.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 73.33 111.461 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -26.68 24.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 74.53 110.435 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -90.27 112.45 24.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 73.54 110.685 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.25 -29.26 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 75.0 111.325 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' OE2' ' HE2' ' A' ' 92' ' ' LYS . 6.7 tp10 -63.67 -37.17 86.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.846 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' CG ' HD21 ' A' ' 56' ' ' LEU . 49.5 m170 -85.22 -34.56 21.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 65.41 110.798 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -53.21 -45.89 68.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.838 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -28.06 66.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 61.24 110.849 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.56 -46.73 73.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.743 0.306 . . . . 65.44 110.226 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.528 HD21 ' CG1' ' A' ' 51' ' ' ILE . 3.7 mm? -58.5 -47.46 84.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.38 -0.6 . . . . 72.34 109.38 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.667 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 2.5 tt0 -52.08 -23.51 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.304 -0.862 . . . . 75.24 110.211 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -81.21 -50.42 9.6 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.619 -0.718 . . . . 75.11 111.33 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.86 -30.85 62.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.822 0.344 . . . . 75.23 110.84 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.536 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -51.17 -50.31 59.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.264 -0.426 . . . . 72.11 111.117 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.519 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 65.0 t -50.97 -57.99 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 73.42 110.312 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -51.96 -21.29 2.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 64.34 111.107 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -94.83 -51.27 4.76 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.996 0.369 . . . . 74.22 111.996 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.13 -46.27 4.68 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.425 0.528 . . . . 74.13 112.425 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.519 ' HB2' ' HA ' ' A' ' 72' ' ' VAL . 87.2 m-85 -95.49 28.18 3.06 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.48 0.548 . . . . 73.34 112.48 -178.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' VAL . 14.6 tt0 -68.25 58.41 0.08 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.028 0.442 . . . . 71.23 110.413 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.44 -41.64 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.843 -0.617 . . . . 72.21 112.298 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.32 -39.28 40.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.851 0.358 . . . . 73.2 110.638 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 59.44 79.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 72.03 110.855 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 t -85.73 119.22 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.167 -0.47 . . . . 70.23 111.193 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -115.0 131.34 56.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.369 . . . . 72.21 110.909 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mp -84.0 146.56 6.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.82 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -134.02 94.54 3.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.341 -0.39 . . . . 63.3 111.116 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.35 49.71 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 74.03 112.784 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -86.44 123.66 31.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 70.14 110.854 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 t -128.7 84.5 62.94 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 74.1 110.977 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -79.2 151.76 23.61 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.778 2.319 . . . . 70.12 112.314 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.01 -34.85 29.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.485 . . . . 73.11 111.006 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.2 134.16 36.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 74.42 110.985 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -76.76 106.49 8.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.237 -0.438 . . . . 51.34 110.424 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.435 ' HE2' ' OE2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.24 111.618 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.782 0.325 . . . . 74.34 111.225 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.61 158.13 8.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 74.12 112.473 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.12 148.28 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 63.22 111.071 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.69 135.3 47.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 75.15 110.696 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 m -114.86 123.11 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.134 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 pt -82.71 -176.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 72.21 111.047 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -121.28 99.55 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.877 -0.601 . . . . 72.41 109.864 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 1.4 p -59.0 142.71 50.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 65.22 110.606 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -98.28 -24.18 15.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.445 -0.343 . . . . 74.14 111.178 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -74.48 -41.79 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.727 -0.471 . . . . 73.04 109.727 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.88 -11.35 28.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 73.11 110.843 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 56.19 44.5 24.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.984 0.421 . . . . 71.4 110.195 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -142.02 -169.02 2.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 74.21 110.728 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -106.31 116.63 32.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 65.42 110.87 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.88 161.12 22.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.379 . . . . 73.25 111.156 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.25 -16.46 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.27 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.98 176.76 8.23 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.672 -0.775 . . . . 53.22 112.603 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -91.0 169.56 10.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 72.41 110.883 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -102.49 -31.39 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 63.02 111.079 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.436 ' O ' HD23 ' A' ' 22' ' ' LEU . 11.7 p90 -134.75 144.77 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 75.5 110.958 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 33.4 tt0 -61.42 133.46 55.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.399 -0.364 . . . . 75.54 110.853 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 20' ' ' PHE . 15.4 mt -95.6 -41.63 8.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 71.53 111.411 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -95.1 169.21 9.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 71.5 110.404 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 12.0 Cg_endo -94.58 -168.02 0.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.969 2.446 . . . . 65.33 112.886 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 39.75 -145.14 0.33 Allowed Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.393 -0.821 . . . . 62.31 114.515 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -81.26 -34.55 32.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.148 -0.526 . . . . 61.3 111.396 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.733 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -58.46 -46.94 85.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 73.23 110.375 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.587 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -59.49 -28.63 65.22 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.021 -1.085 . . . . 70.33 111.741 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -70.3 -39.71 74.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.669 0.271 . . . . 74.43 110.778 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.733 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.0 ptm85 -72.56 -38.28 67.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.509 -0.314 . . . . 74.43 111.192 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.487 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 5.2 mt -64.07 -52.76 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.477 0.656 . . . . 75.33 109.903 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -18.12 58.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.005 -0.998 . . . . 75.01 110.333 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -99.91 -53.35 3.19 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.962 0.727 . . . . 73.34 112.962 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 13.9 mt-10 -94.48 -20.23 19.86 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.741 0.645 . . . . 71.44 112.741 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.435 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 23.6 mm -104.31 126.43 59.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.948 0.404 . . . . 72.42 110.739 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.2 p -91.83 176.97 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.913 -0.585 . . . . 70.31 110.868 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -61.58 -36.02 79.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.905 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.23 95.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.992 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.26 -50.68 30.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 64.24 111.003 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.431 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 51.2 t-105 -53.01 -43.91 66.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.575 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.56 -29.12 61.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 63.23 110.769 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -77.82 -29.29 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 75.14 110.23 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' GLN . 28.8 t-105 -75.66 -47.94 24.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.857 -0.61 . . . . 73.42 110.57 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 9.1 mm100 -46.88 -46.41 21.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.398 . . . . 74.45 110.756 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -61.78 -52.39 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.926 -0.579 . . . . 71.33 110.592 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.506 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 10.3 tptp -68.88 -20.48 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.13 111.027 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.476 ' HG2' HD12 ' A' ' 51' ' ' ILE . 1.4 tt0 -74.37 -54.49 7.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.893 0.377 . . . . 75.45 111.216 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -54.04 -33.18 56.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 74.14 111.957 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -81.07 -40.18 24.56 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.073 -0.251 . . . . 74.2 111.273 -179.55 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 41.5 mt -55.75 -43.35 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 74.11 110.383 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.7 mt -67.33 -38.26 80.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.966 -0.561 . . . . 73.01 110.797 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -73.25 -32.57 64.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.077 -0.51 . . . . 75.53 111.032 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.17 -54.35 4.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.423 -0.353 . . . . 72.53 111.201 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -73.77 -10.44 59.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.722 0.296 . . . . 71.11 111.004 179.656 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? 68.07 60.42 0.42 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.893 0.377 . . . . 74.11 110.854 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.538 HD13 ' HG ' ' A' ' 67' ' ' LEU . 53.0 mt -92.21 178.41 5.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.246 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -155.65 102.68 2.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.983 0.421 . . . . 70.12 110.881 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.402 ' HE3' ' CD1' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -58.74 -18.74 34.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.783 -0.644 . . . . 73.33 111.49 -179.739 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -21.49 44.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 74.53 110.662 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.4 120.23 40.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.292 -0.413 . . . . 73.54 110.579 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.97 -23.94 55.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.498 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.62 -40.34 95.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 73.41 110.995 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 42.8 m170 -85.52 -35.72 20.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.144 -0.48 . . . . 65.41 110.787 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -46.64 54.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 71.4 110.625 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -66.41 -22.49 66.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.845 -0.616 . . . . 61.24 110.771 179.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -42.66 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 65.44 109.919 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.538 ' HG ' HD13 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -60.36 -50.03 75.23 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.017 -0.538 . . . . 72.34 109.812 179.125 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 8.6 pt-20 -55.22 -23.49 22.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.692 -0.685 . . . . 75.24 110.391 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -46.68 31.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.861 -0.609 . . . . 75.11 110.645 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.7 -41.83 87.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.897 -0.592 . . . . 75.23 111.086 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 23' ' ' TYR . 4.0 ptm -47.32 -35.4 7.96 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.42 -0.354 . . . . 72.11 110.962 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 76' ' ' PHE . 99.9 t -64.39 -59.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.993 0.425 . . . . 73.42 110.27 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.2 t30 -51.09 -19.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 64.34 111.296 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -95.19 -49.66 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.273 . . . . 74.22 111.567 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.57 -43.41 5.38 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.913 0.709 . . . . 74.13 112.913 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.487 ' HZ ' ' HA ' ' A' ' 31' ' ' ILE . 74.9 m-85 -101.45 27.83 5.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.859 0.689 . . . . 73.34 112.859 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -68.97 58.54 0.1 Allowed 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 116.442 -0.345 . . . . 71.23 110.858 -179.758 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.9 -19.44 0.66 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.471 -0.871 . . . . 72.21 113.556 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.52 28.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.104 0.452 . . . . 73.2 111.447 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -178.86 38.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 72.03 110.619 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.2 p -68.73 64.57 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 116.151 -0.477 . . . . 70.23 111.203 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -113.52 142.9 45.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 72.21 110.782 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -136.74 119.93 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.076 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -112.19 153.36 27.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 63.3 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.47 20.91 74.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.68 -0.771 . . . . 74.03 112.696 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -102.86 141.09 36.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.341 . . . . 70.14 110.959 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 t -129.55 114.39 18.1 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.1 110.741 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.73 123.03 11.89 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.343 2.029 . . . . 70.12 112.195 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 pm0 -83.64 -29.98 27.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.297 -0.41 . . . . 73.11 110.903 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -166.09 82.43 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.677 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -58.78 -176.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 51.34 111.012 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 74.24 111.03 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mtp . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.772 0.32 . . . . 74.34 111.272 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.33 127.68 1.48 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.727 -0.749 . . . . 74.12 112.457 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.19 108.85 11.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 63.22 111.072 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -63.96 150.11 45.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 75.15 110.555 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -132.18 170.64 14.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.865 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.5 pt -139.62 176.12 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 72.21 110.616 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -110.39 98.89 8.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.266 -0.425 . . . . 72.41 110.091 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 36.2 t -65.42 144.06 57.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 65.22 110.873 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 t -97.15 -21.12 17.51 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.725 0.298 . . . . 74.14 111.009 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -74.29 -46.26 42.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.976 0.417 . . . . 73.04 110.023 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -15.02 31.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 73.11 110.692 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 60.73 42.05 14.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.017 0.437 . . . . 71.4 109.848 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.24 -173.75 4.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.689 . . . . 74.21 110.129 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.17 115.81 31.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 65.42 110.847 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.98 164.07 28.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.06 -0.518 . . . . 73.25 110.923 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.26 158.58 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 72.43 110.756 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.23 167.64 12.77 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.726 -0.75 . . . . 53.22 112.451 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.92 149.62 30.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 72.41 110.809 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.04 -27.45 43.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 63.02 111.445 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.406 ' O ' HD12 ' A' ' 22' ' ' LEU . 11.0 p90 -141.33 138.85 33.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 75.5 111.349 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 51.2 tt0 -59.53 121.26 11.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.486 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.411 HD22 ' NE1' ' A' ' 40' ' ' TRP . 5.3 mp -83.11 -41.9 18.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 71.53 111.857 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.596 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.66 169.17 12.39 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.658 0.266 . . . . 71.5 110.451 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 14.4 Cg_endo -92.98 -172.99 0.37 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.893 2.395 . . . . 65.33 112.929 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.3 -144.81 0.13 Allowed Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.196 -0.911 . . . . 62.31 114.595 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.29 -37.16 53.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.22 -0.49 . . . . 61.3 111.395 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.667 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -51.19 -52.95 39.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 73.23 110.805 -179.633 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.596 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -57.72 -33.87 68.92 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.162 -1.018 . . . . 70.33 111.762 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -63.35 -52.83 60.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.52 0.2 . . . . 74.43 110.603 179.272 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 10.6 ptp180 -59.99 -40.83 90.51 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.609 -0.269 . . . . 74.43 110.871 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.55 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 8.0 mt -64.6 -59.66 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.276 0.56 . . . . 75.33 110.154 179.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -54.96 -18.34 4.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.409 -0.814 . . . . 75.01 110.366 178.745 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 28.8 m-20 -100.1 -48.48 4.62 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.152 0.797 . . . . 73.34 113.152 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 1.2 mm-40 -98.41 -23.5 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.746 0.647 . . . . 71.44 112.746 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.451 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 18.9 mm -104.46 98.97 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 72.42 111.022 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.5 p -58.81 173.67 0.41 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.137 -0.483 . . . . 70.31 111.007 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -61.19 -35.51 77.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 71.22 110.677 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.76 -48.66 78.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 72.33 110.817 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.3 -31.88 70.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 64.24 110.578 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CZ3' ' CD1' ' A' ' 43' ' ' TRP . 52.2 t-105 -69.95 -38.38 76.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.543 . . . . 75.41 110.322 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.9 -28.46 70.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 63.23 110.535 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -74.88 -28.94 60.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 75.14 109.954 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 27.5 t-105 -77.55 -52.05 9.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 73.42 110.581 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.28 -40.72 17.44 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.961 0.41 . . . . 74.45 110.49 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -66.46 -39.4 88.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.824 -0.626 . . . . 71.33 110.061 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -78.28 -20.37 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.989 -0.551 . . . . 74.13 110.393 179.419 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 43' ' ' TRP . 22.4 tt0 -72.1 -48.29 44.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 75.45 110.276 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.6 t -55.61 -38.52 69.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.017 -0.538 . . . . 74.14 111.584 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.503 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -79.37 -37.1 38.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.81 0.338 . . . . 74.2 110.37 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 44.9 mt -64.33 -33.37 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.233 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.3 mt -80.91 -39.63 17.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 73.01 110.759 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.95 -30.36 61.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 75.53 111.091 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -86.19 -54.32 4.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.588 -0.278 . . . . 72.53 111.532 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -72.34 -8.08 52.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.595 0.236 . . . . 71.11 111.089 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 13.3 mmtp 65.62 61.09 0.69 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.805 0.336 . . . . 74.11 111.404 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.5 mt -93.45 -179.02 4.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.493 -0.321 . . . . 75.54 110.231 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -151.13 105.5 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 70.12 110.986 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -23.71 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 73.33 111.413 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -20.24 46.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.519 -0.309 . . . . 74.53 111.259 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.53 118.15 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.811 0.339 . . . . 73.54 110.719 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.24 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 75.0 110.879 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -39.12 66.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 73.41 111.149 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -85.13 -41.33 15.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 65.41 110.404 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -43.75 61.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.589 . . . . 71.4 110.349 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -64.29 -31.21 72.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 61.24 110.088 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -46.79 87.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.001 -0.545 . . . . 65.44 110.168 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' HG ' ' CZ2' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -58.14 -42.0 84.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 72.34 109.839 179.131 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.476 ' HA ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -63.3 -20.05 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 75.24 109.868 178.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -79.32 -47.51 15.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.935 -0.575 . . . . 75.11 110.718 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -73.08 -38.43 66.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 75.23 111.23 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' HA ' ' A' ' 68' ' ' GLU . 3.1 ptm -49.09 -39.73 29.17 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.587 -0.279 . . . . 72.11 111.216 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.436 ' CG1' ' HB2' ' A' ' 76' ' ' PHE . 68.9 t -62.87 -57.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.957 0.408 . . . . 73.42 110.585 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.451 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -52.83 -18.63 1.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.549 . . . . 64.34 111.486 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -95.25 -49.55 5.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.697 0.284 . . . . 74.22 111.59 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.68 -44.85 4.97 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.988 0.736 . . . . 74.13 112.988 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' HZ ' ' HA ' ' A' ' 31' ' ' ILE . 44.7 m-85 -100.1 28.58 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.784 0.661 . . . . 73.34 112.784 -178.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 4.9 tt0 -66.35 60.01 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.081 0.467 . . . . 71.23 111.019 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -170.58 -39.62 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.765 -0.652 . . . . 72.21 112.216 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -32.54 45.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 73.2 110.575 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 57.48 88.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.018 -0.537 . . . . 72.03 110.834 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.04 54.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 70.23 110.906 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.59 179.39 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 72.21 110.713 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 mm -86.92 160.1 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.932 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -158.69 115.39 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 63.3 110.923 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.14 32.11 3.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 74.03 112.555 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -83.45 146.51 28.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 70.14 110.809 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 t -131.27 91.56 35.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.743 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.87 179.87 4.51 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.774 2.316 . . . . 70.12 112.439 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -67.37 -35.55 79.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.955 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.98 63.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.42 111.204 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.35 32.45 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 51.34 110.306 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.851 -0.613 . . . . 74.24 111.018 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.716 0.293 . . . . 74.34 111.469 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.43 -39.77 2.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 74.12 112.346 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -119.27 109.7 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.741 0.305 . . . . 63.22 110.694 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -104.05 112.41 25.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 75.15 111.161 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 m -111.78 119.7 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.556 . . . . 75.42 110.292 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.0 pt -81.2 -175.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 72.21 111.348 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 17.2 t80 -115.46 101.65 9.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 72.41 110.215 179.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 35.9 t -65.1 144.49 57.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.522 -0.308 . . . . 65.22 110.279 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.8 t -99.24 -21.97 15.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.658 0.265 . . . . 74.14 111.064 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -74.69 -44.73 48.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.001 0.429 . . . . 73.04 110.072 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mt -89.39 -13.27 38.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 73.11 110.777 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 60.9 40.68 15.34 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.902 0.382 . . . . 71.4 110.367 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.76 -168.2 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 74.21 110.447 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.7 tt0 -107.8 118.94 38.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 65.42 110.61 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.91 165.39 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.939 0.399 . . . . 73.25 111.33 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.35 171.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 72.43 110.749 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.12 179.99 16.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.587 -0.816 . . . . 53.22 112.517 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.51 142.96 26.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.716 0.293 . . . . 72.41 111.06 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.69 -31.52 65.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 63.02 111.178 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -130.12 140.73 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.5 110.985 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.3 134.67 57.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.82 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.501 HD12 ' NE1' ' A' ' 40' ' ' TRP . 10.5 mt -90.59 -43.96 9.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 71.53 111.169 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -92.15 171.43 7.71 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.52 -0.309 . . . . 71.5 110.239 179.296 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.559 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 13.3 Cg_endo -94.0 -174.59 0.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.195 2.597 . . . . 65.33 113.1 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 35.6 -144.15 0.09 OUTLIER Glycine 0 C--N 1.332 0.312 0 CA-C-N 115.263 -0.88 . . . . 62.31 114.814 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -39.94 62.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.373 -0.414 . . . . 61.3 111.277 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.733 ' HG ' ' CG ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -48.03 -55.11 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.982 -0.554 . . . . 73.23 110.968 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.568 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -60.12 -28.44 66.53 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.341 -0.933 . . . . 70.33 111.988 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -60.38 -56.45 21.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 74.43 110.343 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.71 -37.94 86.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.569 . . . . 74.43 111.554 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.556 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 7.2 mt -65.07 -63.24 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-O 121.467 0.651 . . . . 75.33 109.998 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -54.2 -18.27 3.69 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.152 -0.931 . . . . 75.01 110.109 178.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -97.86 -51.32 4.11 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.942 0.719 . . . . 73.34 112.942 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.568 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 72.1 mm-40 -97.84 -20.23 17.64 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.918 0.71 . . . . 71.44 112.918 -177.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.45 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 16.8 mm -101.43 115.42 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.754 0.311 . . . . 72.42 110.752 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.7 p -81.44 171.65 14.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 70.31 111.263 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -60.03 -33.17 71.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 71.22 110.893 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -48.31 81.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.875 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.32 -42.55 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.24 110.932 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.51 ' CZ3' HG22 ' A' ' 31' ' ' ILE . 40.3 t-105 -56.26 -41.31 75.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 75.41 110.262 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.67 80.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.955 -0.566 . . . . 63.23 110.496 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -67.19 -33.98 76.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 75.14 110.168 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.478 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 20.0 t-105 -71.54 -51.66 22.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.817 -0.629 . . . . 73.42 110.373 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -48.15 -40.24 23.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.921 0.391 . . . . 74.45 110.655 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.43 ' O ' HG22 ' A' ' 48' ' ' THR . 30.0 t60 -64.89 -40.82 95.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 71.33 110.556 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 49' ' ' MET . 5.8 tptp -80.96 -19.8 43.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.027 0.441 . . . . 74.13 110.434 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' TRP . 43.3 tt0 -70.02 -52.45 24.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.834 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 45' ' ' HIS . 14.6 t -53.67 -42.93 68.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.099 -0.5 . . . . 74.14 111.792 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -74.31 -35.78 63.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.726 0.298 . . . . 74.2 110.952 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.647 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 21.3 mt -60.14 -30.67 69.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 74.11 110.355 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.531 HD11 HD12 ' A' ' 67' ' ' LEU . 69.2 mt -82.46 -42.96 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 73.01 110.949 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -72.36 -33.95 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 75.53 111.61 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -81.09 -51.23 8.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.634 0.254 . . . . 72.53 111.074 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.647 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -74.41 -6.37 47.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.447 -0.342 . . . . 71.11 110.748 179.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.77 59.01 1.19 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 120.889 0.376 . . . . 74.11 110.541 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.515 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 72.0 mt -92.75 -178.7 4.93 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.552 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.91 105.6 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.975 0.417 . . . . 70.12 110.728 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.432 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.75 -18.52 21.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.832 -0.622 . . . . 73.33 111.785 -179.577 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.22 -25.58 42.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 74.53 111.012 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -95.92 121.91 38.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 73.54 110.753 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.26 65.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 75.0 111.413 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -67.48 -36.37 81.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.458 -0.337 . . . . 73.41 111.169 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.417 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 26.3 m170 -85.39 -37.62 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 65.41 110.461 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -55.17 -45.15 75.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 71.4 110.25 179.515 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -63.62 -26.51 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.929 -0.578 . . . . 61.24 109.965 179.14 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.423 HD22 HD13 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -64.56 -47.37 78.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.091 -0.504 . . . . 65.44 110.049 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD12 HD11 ' A' ' 51' ' ' ILE . 3.5 mt -52.57 -42.26 64.33 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.331 -0.618 . . . . 72.34 109.331 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.733 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -55.54 -24.36 31.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.948 -1.024 . . . . 75.24 110.763 179.378 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -80.25 -47.4 14.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.967 -0.56 . . . . 75.11 111.051 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.62 -46.24 86.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 75.23 111.446 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.416 ' SD ' ' CE2' ' A' ' 23' ' ' TYR . 2.4 ptm -45.32 -36.41 4.1 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.743 0.306 . . . . 72.11 111.156 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 76' ' ' PHE . 37.8 t -63.33 -61.93 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.958 0.409 . . . . 73.42 110.526 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.29 -20.24 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 64.34 111.585 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -94.91 -50.44 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.609 0.243 . . . . 74.22 111.633 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mt -103.25 -42.96 5.58 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.797 0.665 . . . . 74.13 112.797 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.556 ' HZ ' ' HA ' ' A' ' 31' ' ' ILE . 56.6 m-85 -101.71 28.62 5.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.41 0.522 . . . . 73.34 112.41 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.1 tm-20 -65.33 41.18 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.901 0.381 . . . . 71.23 111.655 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' 76' ' ' PHE . . . -140.54 -32.01 0.16 Allowed Glycine 0 N--CA 1.445 -0.767 0 C-N-CA 121.336 -0.459 . . . . 72.21 112.057 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -132.58 57.75 1.78 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.895 0.378 . . . . 73.2 110.788 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -53.91 -25.1 18.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.174 -0.466 . . . . 72.03 111.116 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.1 p -87.86 109.14 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.943 -0.571 . . . . 70.23 110.753 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.401 ' O ' HG13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -143.43 112.35 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 72.21 111.402 -179.526 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.403 ' N ' HD11 ' A' ' 83' ' ' ILE . 4.2 mp -147.91 119.02 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 73.25 110.799 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -109.26 132.19 54.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 63.3 110.969 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.4 50.03 7.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 74.03 112.472 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -112.22 119.59 38.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 70.14 110.87 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 p -137.91 100.35 8.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 74.1 111.158 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.05 60.23 4.6 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.471 2.114 . . . . 70.12 112.165 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.94 -55.99 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 73.11 110.742 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -115.78 19.27 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.127 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.94 106.12 5.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 51.34 110.847 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.749 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 120.828 0.347 . . . . 74.34 111.301 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.2 85.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.684 -0.77 . . . . 74.12 112.597 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -131.72 119.53 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 63.22 110.67 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 4' ' ' ARG . 12.4 tpp180 -104.41 98.75 8.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 75.15 110.985 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -124.32 116.36 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 75.42 110.698 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.0 pt -79.72 -175.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.21 111.407 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -123.91 100.46 6.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 72.41 109.852 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 31.1 t -59.27 146.18 40.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 65.22 110.865 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 t -97.23 -27.05 14.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 74.14 111.157 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 48.2 t80 -74.57 -40.15 61.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.097 0.475 . . . . 73.04 110.105 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.71 -13.38 22.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.618 -0.719 . . . . 73.11 110.859 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 54.89 43.37 30.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.249 -0.432 . . . . 71.4 110.677 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -138.5 -169.13 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.249 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.48 119.02 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.396 . . . . 65.42 110.947 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.8 167.5 15.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 73.25 111.096 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -10.68 59.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 72.43 111.492 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.27 -174.1 10.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.615 -0.802 . . . . 53.22 112.566 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.53 177.48 5.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.74 0.305 . . . . 72.41 110.973 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.72 -23.66 8.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.315 -0.402 . . . . 63.02 111.54 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CE2' HD12 ' A' ' 22' ' ' LEU . 4.1 p90 -141.65 138.42 32.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.827 0.346 . . . . 75.5 110.914 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' NE2' ' HA2' ' A' ' 25' ' ' GLY . 9.4 tt0 -67.49 120.77 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.241 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD12 ' CE2' ' A' ' 20' ' ' PHE . 8.5 mp -94.84 -39.1 10.42 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.15 -0.477 . . . . 71.53 110.554 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.74 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -84.03 169.06 18.19 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.576 -0.738 . . . . 71.5 110.76 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.74 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 2.1 Cg_endo -42.68 -177.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.877 3.052 . . . . 65.33 113.098 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.503 ' HA2' ' NE2' ' A' ' 21' ' ' GLN . . . -81.11 -52.5 4.27 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.798 -0.715 . . . . 62.31 114.644 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.55 -54.64 42.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.981 0.419 . . . . 61.3 111.016 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -84.2 -51.37 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.266 0.839 . . . . 73.23 113.266 -178.18 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -44.32 -27.99 1.32 Allowed Glycine 0 C--O 1.23 -0.14 0 C-N-CA 120.525 -0.845 . . . . 70.33 113.687 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -58.0 -60.3 3.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.857 0.328 . . . . 74.43 110.969 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -57.28 -38.78 74.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.49 -0.323 . . . . 74.43 111.538 -179.616 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 4.0 mt -66.5 -58.26 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.097 0.475 . . . . 75.33 110.284 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -61.17 -19.17 61.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.543 -0.753 . . . . 75.01 111.075 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 53.8 m-20 -100.86 -49.36 4.17 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.994 0.739 . . . . 73.34 112.994 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.644 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.4 mm-40 -94.9 -25.36 16.6 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.993 0.738 . . . . 71.44 112.993 -177.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.553 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 20.4 mm -100.13 109.81 25.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.984 0.421 . . . . 72.42 111.003 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.5 p -70.41 177.9 3.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.821 -0.627 . . . . 70.31 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -64.7 -34.48 78.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.399 . . . . 71.22 111.033 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.14 -50.69 69.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 72.33 110.826 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.52 -33.74 76.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 64.24 110.698 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.442 ' CZ3' HG23 ' A' ' 31' ' ' ILE . 49.9 t-105 -68.62 -38.26 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.797 -0.638 . . . . 75.41 110.64 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.56 -22.08 66.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 63.23 110.845 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -83.2 -25.68 31.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.291 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.474 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 18.3 t-105 -81.53 -49.27 10.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.895 -0.593 . . . . 73.42 110.35 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -48.69 -42.09 33.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.593 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -61.03 -43.34 99.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.132 -0.486 . . . . 71.33 109.914 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 49' ' ' MET . 13.0 tptt -74.71 -21.34 59.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 74.13 110.6 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -70.36 -54.04 14.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 75.45 110.652 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 49' ' ' MET . 12.7 t -53.64 -38.94 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 74.14 111.813 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.468 ' N ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -79.62 -43.69 22.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.594 0.235 . . . . 74.2 111.39 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 25.3 mt -55.18 -37.59 67.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.408 . . . . 74.11 110.665 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.435 ' CG1' HD11 ' A' ' 67' ' ' LEU . 83.3 mt -74.49 -39.1 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.009 -0.542 . . . . 73.01 111.253 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -76.73 -29.27 56.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.353 -0.385 . . . . 75.53 111.156 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -86.17 -53.43 5.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.474 -0.33 . . . . 72.53 111.249 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -74.17 -9.47 58.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.413 -0.358 . . . . 71.11 110.713 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.17 63.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 74.11 110.67 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' A' ' 66' ' ' LEU . 52.5 mt -93.85 -173.89 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 75.54 110.905 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -155.51 103.61 2.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 70.12 110.384 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.409 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.17 -21.83 35.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 73.33 111.374 -179.608 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -19.96 47.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.698 0.285 . . . . 74.53 110.835 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -98.77 124.66 43.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 73.54 110.767 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.78 -32.81 73.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.198 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -37.34 82.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 73.41 111.014 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -85.34 -38.72 18.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 65.41 110.79 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.92 -45.95 64.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.36 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -68.82 -22.37 64.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.925 -0.579 . . . . 61.24 110.418 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.403 ' CD2' HD22 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -68.96 -37.42 78.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.062 0.458 . . . . 65.44 109.867 179.315 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' HG ' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -67.79 -47.29 69.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.884 -0.598 . . . . 72.34 109.711 179.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.486 ' CA ' ' HE3' ' A' ' 71' ' ' MET . 3.3 pt-20 -60.08 -23.47 63.81 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.708 -0.678 . . . . 75.24 109.976 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -75.23 -46.55 33.1 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.816 -0.629 . . . . 75.11 110.317 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.0 -43.2 75.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.484 . . . . 75.23 110.542 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.486 ' HE3' ' CA ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -47.89 -46.27 31.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.07 -0.514 . . . . 72.11 111.256 -179.771 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.53 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 88.7 t -53.78 -57.98 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 121.222 0.534 . . . . 73.42 110.054 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -51.14 -20.21 1.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.629 -0.714 . . . . 64.34 111.033 179.228 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -95.16 -50.06 5.23 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.343 -0.39 . . . . 74.22 111.426 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -103.26 -46.9 4.47 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.297 0.48 . . . . 74.13 112.297 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 95.1 m-85 -94.92 28.02 2.9 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 112.124 0.416 . . . . 73.34 112.124 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.0 tt0 -68.38 58.6 0.08 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.072 0.463 . . . . 71.23 110.826 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.27 -40.82 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.081 -0.58 . . . . 72.21 112.321 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.77 -39.64 35.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 73.2 110.536 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 51.62 89.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 72.03 111.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.421 HG21 ' NE ' ' A' ' 30' ' ' ARG . 5.1 t -85.6 27.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 70.23 111.55 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -161.32 170.09 20.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 72.21 110.39 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.4 mt -135.37 139.88 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 73.25 111.339 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -153.57 172.98 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.563 . . . . 63.3 110.731 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.8 32.88 75.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.578 -0.82 . . . . 74.03 112.385 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -99.23 103.61 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 70.14 110.927 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.2 p -149.09 89.42 4.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.87 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.99 173.51 13.49 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.621 2.214 . . . . 70.12 112.404 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -84.0 -28.58 27.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 73.11 110.933 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 t70 73.79 -62.72 0.45 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.968 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.2 160.88 17.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.402 . . . . 51.34 110.864 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.696 179.816 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.791 0.329 . . . . 74.34 111.132 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.87 -45.21 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.438 -0.887 . . . . 74.12 113.092 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -118.68 133.51 55.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 63.22 111.496 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.2 84.71 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 75.15 110.633 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m -134.2 97.53 3.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 75.42 110.552 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 pt -79.4 -173.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.059 -0.519 . . . . 72.21 111.375 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -119.39 103.8 9.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.762 -0.654 . . . . 72.41 110.133 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.642 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 43.3 t -67.61 148.45 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.374 . . . . 65.22 110.591 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.0 t -97.67 -21.85 16.78 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.846 0.355 . . . . 74.14 111.156 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 46.4 t80 -74.19 -48.52 28.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.034 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -15.2 33.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 73.11 110.627 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 60.34 41.38 16.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 71.4 110.372 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.02 -170.98 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 74.21 110.352 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -104.6 114.87 29.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.442 -0.344 . . . . 65.42 110.904 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.01 168.62 19.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 73.25 111.143 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.38 176.71 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.724 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.76 168.73 21.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.674 -0.774 . . . . 53.22 112.519 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 1.7 mp0 -86.84 149.37 24.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.868 0.366 . . . . 72.41 110.702 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.19 -27.09 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 63.02 111.539 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -131.37 133.27 45.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.39 . . . . 75.5 111.239 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 38.1 tt0 -59.52 118.66 6.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 75.54 110.966 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.72 -43.92 57.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.128 -0.487 . . . . 71.53 111.403 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -95.69 166.08 15.29 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 71.5 110.476 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -92.95 -169.59 0.24 Allowed 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.879 2.386 . . . . 65.33 112.971 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.3 -146.09 0.15 Allowed Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.229 -0.896 . . . . 62.31 114.493 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -75.79 -39.87 56.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.329 -0.436 . . . . 61.3 111.295 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.84 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -50.81 -54.02 27.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.982 -179.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.6 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -58.5 -30.68 65.46 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.519 -0.848 . . . . 70.33 112.671 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -43.73 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.623 0.249 . . . . 74.43 111.234 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.84 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.7 ptm180 -69.72 -37.98 76.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 74.43 111.286 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.572 ' HA ' ' HZ ' ' A' ' 76' ' ' PHE . 5.0 mt -64.47 -59.67 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.551 0.691 . . . . 75.33 109.823 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' HB2' ' HA ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -56.11 -18.51 10.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.882 -1.054 . . . . 75.01 111.182 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -100.41 -55.16 2.67 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.857 0.688 . . . . 73.34 112.857 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.642 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 61.3 mm-40 -95.12 -17.81 21.49 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.751 0.649 . . . . 71.44 112.751 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.592 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 21.8 mm -104.02 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.021 0.439 . . . . 72.42 110.889 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.9 p -59.78 -174.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.64 -0.709 . . . . 70.31 111.039 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -73.13 -35.0 66.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.405 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.53 -49.79 73.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.845 -0.616 . . . . 72.33 111.15 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.94 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 64.24 111.092 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.467 ' CZ3' ' CD1' ' A' ' 43' ' ' TRP . 28.2 t-105 -63.01 -41.3 99.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 75.41 110.647 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.88 -28.26 69.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.852 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -81.06 -31.24 34.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 75.14 109.902 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' CZ2' ' HB3' ' A' ' 71' ' ' MET . 22.6 t-105 -72.95 -49.71 27.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.915 -0.584 . . . . 73.42 109.985 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -43.39 32.7 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.996 0.427 . . . . 74.45 110.623 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -65.77 -31.59 72.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.789 -0.642 . . . . 71.33 110.629 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' O ' ' HG3' ' A' ' 49' ' ' MET . 1.2 tptt -86.05 -26.55 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 74.13 110.876 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 51' ' ' ILE . 34.0 tt0 -66.49 -51.83 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.967 0.413 . . . . 75.45 110.486 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.2 t -53.0 -38.54 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.846 -0.615 . . . . 74.14 112.129 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 2.0 ptp -80.19 -34.47 37.44 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.074 -0.25 . . . . 74.2 111.321 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 45.8 mt -64.72 -30.94 71.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 74.11 110.531 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.472 HD13 HD13 ' A' ' 67' ' ' LEU . 49.9 mt -77.44 -38.59 26.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 73.01 110.513 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -78.26 -33.83 49.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.783 -0.644 . . . . 75.53 111.301 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -78.66 -54.38 6.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.743 0.306 . . . . 72.53 111.055 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -75.71 -6.18 49.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.319 -0.4 . . . . 71.11 110.635 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm 61.67 61.92 1.37 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.331 -0.395 . . . . 74.11 110.835 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.434 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 52.0 mt -88.11 -174.95 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 75.54 110.404 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.61 101.64 1.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 70.12 110.61 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.477 ' HE2' ' H ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -56.73 -18.21 11.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.846 -0.616 . . . . 73.33 111.79 -179.306 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -14.1 58.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.577 0.227 . . . . 74.53 111.488 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -115.21 129.51 56.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.962 0.411 . . . . 73.54 110.965 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.98 -34.66 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 75.0 111.349 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -42.8 67.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 73.41 111.398 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 47.9 m170 -85.65 -33.22 21.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 65.41 111.134 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -52.41 -52.64 52.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 71.4 110.746 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 3.1 pttp -64.31 -28.89 70.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.961 -0.563 . . . . 61.24 110.889 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -37.82 83.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.967 0.413 . . . . 65.44 109.925 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.472 HD13 HD13 ' A' ' 51' ' ' ILE . 3.2 mt -63.73 -47.94 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 72.34 109.886 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -54.91 -24.99 26.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.816 -0.629 . . . . 75.24 110.483 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.41 -48.3 20.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 75.11 110.414 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.35 -49.32 77.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.564 . . . . 75.23 110.926 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.525 ' HB3' ' CZ2' ' A' ' 43' ' ' TRP . 8.9 ptm -50.61 -35.53 30.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.326 -0.397 . . . . 72.11 111.096 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.521 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 86.1 t -66.82 -59.49 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 120.927 0.394 . . . . 73.42 110.269 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 4.5 t30 -52.01 -18.93 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 64.34 111.033 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -95.24 -51.13 4.74 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.509 -0.314 . . . . 74.22 111.651 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.428 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -103.26 -44.17 5.25 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.421 0.526 . . . . 74.13 112.421 -178.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CZ ' HG12 ' A' ' 35' ' ' ILE . 91.2 m-85 -97.22 28.62 3.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.36 0.504 . . . . 73.34 112.36 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 31.4 tt0 -67.09 59.25 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.192 0.52 . . . . 71.23 110.615 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.38 -39.94 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.616 -0.72 . . . . 72.21 111.825 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.11 45.75 1.82 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 73.2 110.046 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -60.9 83.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.801 -0.636 . . . . 72.03 111.284 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.35 107.98 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.448 -0.342 . . . . 70.23 110.812 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -93.75 67.34 3.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.157 0.503 . . . . 72.21 111.236 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.8 mt -141.94 145.92 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.546 -0.752 . . . . 73.25 110.496 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.78 117.8 18.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 63.3 111.009 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.08 86.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.831 -0.699 . . . . 74.03 112.28 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.45 123.68 48.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 70.14 111.203 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.3 p -114.23 83.5 8.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 74.1 110.505 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -84.84 174.16 7.69 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.739 2.293 . . . . 70.12 112.667 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -69.83 -48.11 60.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 73.11 110.589 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -111.66 148.96 32.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.806 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.524 ' HD2' ' N ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -92.16 120.8 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 51.34 110.973 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.478 -0.328 . . . . 74.24 111.037 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.84 0.352 . . . . 74.34 111.225 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.73 -128.69 1.08 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.874 -0.679 . . . . 74.12 112.395 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.82 123.07 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 63.22 110.903 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.1 144.74 28.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.062 -0.517 . . . . 75.15 110.71 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -132.48 107.5 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.952 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.3 pt -82.35 -175.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 72.21 111.387 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 11.3 t80 -120.76 100.79 7.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.566 . . . . 72.41 110.126 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.8 t -59.32 144.64 45.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.369 -0.378 . . . . 65.22 110.78 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.8 t -97.02 -25.1 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.591 -0.277 . . . . 74.14 111.115 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 54.5 t80 -74.61 -42.71 58.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.029 0.442 . . . . 73.04 110.144 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.62 -13.1 32.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.881 -0.6 . . . . 73.11 110.595 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 57.27 42.6 24.94 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.37 -0.377 . . . . 71.4 110.031 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -141.35 -166.39 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.907 -0.588 . . . . 74.21 110.522 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 1.3 tt0 -111.32 117.86 34.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 65.42 110.949 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.58 -178.49 3.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.25 111.272 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.89 -12.75 59.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 72.43 111.453 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.56 174.09 0.73 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.625 -0.798 . . . . 53.22 112.43 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -83.73 175.83 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 72.41 110.822 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.06 -26.41 7.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 63.02 111.254 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -142.27 143.15 32.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 75.5 111.089 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 24' ' ' PRO . 20.1 tt0 -66.22 122.05 16.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.99 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.25 -36.8 9.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.522 . . . . 71.53 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.677 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -85.94 169.01 16.75 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.824 -0.625 . . . . 71.5 110.617 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.677 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 3.4 Cg_endo -43.97 -173.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.585 2.857 . . . . 65.33 113.109 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.96 -74.57 0.57 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 115.466 0.946 . . . . 62.31 115.466 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -53.95 -55.65 25.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.504 0.557 . . . . 61.3 112.504 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 5.5 mt -74.46 -54.61 7.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.757 0.651 . . . . 73.23 112.757 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.603 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -50.19 -20.5 3.44 Favored Glycine 0 C--O 1.229 -0.179 0 C-N-CA 120.203 -0.999 . . . . 70.33 113.673 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -57.22 5.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.066 0.433 . . . . 74.43 111.121 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.66 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 8.2 ptp180 -58.36 -37.46 75.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.667 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.48 HG23 ' HB ' ' A' ' 35' ' ' ILE . 5.0 mt -63.73 -55.52 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 121.642 0.734 . . . . 75.33 109.596 178.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -20.5 38.15 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.584 -1.189 . . . . 75.01 110.811 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -100.56 -53.38 3.1 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.101 0.778 . . . . 73.34 113.101 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.555 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -95.1 -24.21 16.97 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.976 0.732 . . . . 71.44 112.976 -178.006 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.504 HG12 ' CE1' ' A' ' 76' ' ' PHE . 17.6 mm -99.49 98.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.953 0.406 . . . . 72.42 110.79 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.3 p -62.69 -179.32 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.895 -0.593 . . . . 70.31 111.046 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -69.67 -34.8 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.22 111.124 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -60.25 -50.97 71.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.959 0.409 . . . . 72.33 110.459 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.87 78.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 64.24 110.56 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.457 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 31.2 t-105 -62.81 -47.1 84.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.601 . . . . 75.41 110.812 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.39 -21.42 36.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 63.23 111.194 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -82.05 -34.95 29.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.883 0.373 . . . . 75.14 110.04 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 17.2 t-105 -72.84 -51.78 17.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.121 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -46.18 -43.42 15.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.948 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -61.66 -42.6 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 71.33 110.55 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 0.8 OUTLIER -78.16 -24.44 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 74.13 110.822 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.96 -51.54 57.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 75.45 111.012 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 49' ' ' MET . 14.3 t -54.63 -41.98 70.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.432 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.438 ' N ' HG21 ' A' ' 48' ' ' THR . 2.8 ptm -77.78 -29.44 50.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.626 0.251 . . . . 74.2 110.859 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.647 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 13.1 mt -65.94 -29.22 69.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 74.11 110.251 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.424 HD11 HD13 ' A' ' 67' ' ' LEU . 63.2 mt -83.67 -37.26 13.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.037 -0.529 . . . . 73.01 110.655 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -73.14 -49.03 30.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.968 -0.56 . . . . 75.53 111.186 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.74 -53.55 26.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 72.53 111.405 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.647 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -73.22 -13.97 61.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.339 . . . . 71.11 110.909 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt 66.86 63.09 0.49 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.345 -0.389 . . . . 74.11 111.107 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD13 ' HG ' ' A' ' 67' ' ' LEU . 73.3 mt -93.37 179.51 5.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.446 -0.343 . . . . 75.54 110.423 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -144.39 108.88 4.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.779 0.323 . . . . 70.12 110.814 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.402 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -62.45 -21.81 65.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.33 111.692 -179.37 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -28.75 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 74.53 110.988 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.74 125.99 38.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.352 -0.386 . . . . 73.54 110.703 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -63.9 -28.72 70.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 75.0 111.391 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.15 -40.94 82.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.326 -0.397 . . . . 73.41 111.433 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.404 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 39.6 m170 -85.65 -38.53 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 65.41 110.889 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.89 -46.01 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 71.4 110.384 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -65.66 -28.34 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 61.24 110.333 179.343 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -45.13 88.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.013 -0.54 . . . . 65.44 110.408 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.424 HD13 HD11 ' A' ' 51' ' ' ILE . 3.4 mt -55.35 -47.15 76.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.026 -0.534 . . . . 72.34 110.536 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 10.8 mt-10 -50.77 -25.75 4.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 75.24 110.605 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -52.59 10.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 75.11 111.115 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -56.15 -52.04 65.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 75.23 111.256 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.5 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -43.67 -42.45 5.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.081 -0.509 . . . . 72.11 111.761 -179.322 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' GLU . 97.3 t -54.57 -57.53 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.905 0.383 . . . . 73.42 110.592 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 3.1 t30 -51.8 -20.34 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 64.34 111.419 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.433 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 27.4 t80 -95.4 -51.24 4.66 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.926 0.343 . . . . 74.22 111.926 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.95 -45.13 5.29 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.55 0.574 . . . . 74.13 112.55 -178.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.66 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 49.5 m-85 -97.78 28.58 3.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.315 0.487 . . . . 73.34 112.315 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -67.8 60.26 0.07 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.47 -0.787 . . . . 71.23 110.683 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -166.96 -37.16 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.658 -0.701 . . . . 72.21 112.119 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -91.59 -44.15 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 73.2 110.7 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 54.94 102.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 72.03 110.918 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.4 t -83.02 10.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 70.23 111.749 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -139.94 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.369 . . . . 72.21 110.945 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.83 128.74 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 73.25 111.024 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.89 59.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 63.3 110.671 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.15 52.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.719 . . . . 74.03 112.324 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -94.07 156.57 16.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.935 0.398 . . . . 70.14 111.062 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.7 p -123.39 85.73 52.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 74.1 110.812 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.51 -177.07 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.495 2.13 . . . . 70.12 112.325 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -52.33 5.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.992 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 60.43 29.68 19.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.366 -0.379 . . . . 74.42 110.915 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.95 114.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 51.34 110.51 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 74.24 111.138 -179.714 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 120.825 0.345 . . . . 74.34 111.257 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.21 79.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.767 . . . . 74.12 112.557 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.53 135.97 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.672 0.273 . . . . 63.22 110.751 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.01 169.14 10.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.385 -0.371 . . . . 75.15 111.235 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -122.26 117.05 25.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 75.42 110.275 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.4 pt -80.64 -178.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.138 0.494 . . . . 72.21 111.56 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -117.95 95.8 5.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.568 -0.742 . . . . 72.41 109.766 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.71 147.16 34.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 65.22 110.751 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -97.93 -24.2 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 74.14 110.972 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -74.52 -45.5 45.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.04 110.23 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.78 -17.11 30.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.895 -0.593 . . . . 73.11 110.482 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 60.62 41.29 15.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 71.4 110.143 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.29 -174.84 4.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 74.21 110.419 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -99.09 113.23 25.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.691 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.62 158.29 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.25 110.878 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.08 -19.78 47.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 72.43 111.284 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.09 -167.8 54.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.763 . . . . 53.22 112.437 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.67 179.86 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 72.41 110.828 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -122.56 -26.48 4.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 63.02 111.513 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -134.04 134.87 42.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 75.5 111.44 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 21.5 tt0 -60.72 127.96 34.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 75.54 110.753 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mt -93.18 -41.19 10.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 71.53 111.184 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.616 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -94.82 166.97 13.96 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.408 -0.36 . . . . 71.5 110.116 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 11.1 Cg_endo -93.85 -176.72 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.966 2.444 . . . . 65.33 113.006 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.12 -141.95 5.12 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.43 -0.805 . . . . 62.31 114.145 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -81.2 -39.42 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.525 -0.338 . . . . 61.3 111.326 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.747 ' HG ' ' HG3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -49.62 -54.2 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.103 0.478 . . . . 73.23 110.557 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.616 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.85 -30.99 60.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.298 -0.953 . . . . 70.33 111.368 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -50.99 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 74.43 110.212 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 4.8 ptp180 -63.81 -42.2 97.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 74.43 110.955 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.438 HD13 HD13 ' A' ' 27' ' ' LEU . 10.5 mt -62.05 -56.75 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.586 0.707 . . . . 75.33 109.408 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.567 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -58.45 -18.46 28.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.847 -1.07 . . . . 75.01 109.719 178.137 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -91.9 -64.44 1.11 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.71 0.633 . . . . 73.34 112.71 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.6 -12.35 27.63 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.957 0.725 . . . . 71.44 112.957 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 ' HB ' ' CG2' ' A' ' 31' ' ' ILE . 16.0 mm -108.27 92.93 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.982 0.42 . . . . 72.42 111.035 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 p -60.82 -178.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 70.31 110.73 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -68.44 -32.05 71.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.387 -0.369 . . . . 71.22 111.241 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -61.76 -45.36 94.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.4 -0.364 . . . . 72.33 111.074 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.87 -37.89 64.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 64.24 110.751 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.421 ' CZ3' ' CD1' ' A' ' 43' ' ' TRP . 54.5 t-105 -61.96 -33.07 73.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 75.41 110.838 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.48 -27.53 66.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 63.23 111.067 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -77.29 -33.86 55.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.047 0.451 . . . . 75.14 109.995 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 19.8 t-105 -70.97 -50.22 36.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.885 -0.598 . . . . 73.42 110.106 179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -52.75 -38.44 60.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.378 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -64.3 -32.21 73.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.754 -0.657 . . . . 71.33 110.138 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 7.5 tptt -87.78 -25.35 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 74.13 110.783 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -60.69 -51.41 69.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 75.45 110.295 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.1 t -49.45 -43.73 45.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 74.14 111.524 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.3 ptp -78.01 -35.57 49.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 74.2 110.879 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.55 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 17.0 mt -63.94 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.391 . . . . 74.11 110.546 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.421 ' CG2' ' HB2' ' A' ' 56' ' ' LEU . 64.9 mt -83.16 -46.33 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 73.01 111.135 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -71.07 -27.26 63.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 75.53 111.454 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -86.26 -54.0 4.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.505 -0.316 . . . . 72.53 111.502 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -75.04 -5.61 45.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.556 -0.293 . . . . 71.11 111.391 -179.645 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER 66.75 60.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 74.11 110.897 -179.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 90.5 mt -97.72 170.9 8.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 75.54 110.148 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -145.12 105.53 4.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 70.12 111.036 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -19.11 8.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 73.33 111.57 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -28.36 41.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.762 0.315 . . . . 74.53 110.645 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.44 105.55 17.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.479 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -45.87 -30.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 75.0 111.639 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -64.11 -33.97 76.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 73.41 111.258 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -85.38 -39.22 17.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.257 -0.429 . . . . 65.41 110.824 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -38.63 60.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.346 -0.388 . . . . 71.4 110.269 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 11.1 ptpt -75.26 -26.85 59.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 61.24 110.065 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -43.44 98.84 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.281 -0.637 . . . . 65.44 109.281 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' HG ' ' CZ2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -60.08 -33.95 72.79 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.04 -0.726 . . . . 72.34 109.04 178.309 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.747 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 42.9 tt0 -61.85 -21.92 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.233 -0.894 . . . . 75.24 110.161 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -82.42 -49.99 9.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 75.11 110.888 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -64.6 -32.59 74.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 75.23 110.989 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.491 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 3.1 ptm -56.85 -34.18 67.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.403 -0.362 . . . . 72.11 111.377 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 76' ' ' PHE . 86.3 t -62.16 -59.51 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 73.42 110.565 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 49.4 t-20 -50.51 -19.67 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 64.34 111.389 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -95.32 -50.46 5.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.493 -0.322 . . . . 74.22 111.656 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.4 -45.17 4.94 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.775 0.657 . . . . 74.13 112.775 -178.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 54.7 m-85 -97.81 28.58 3.8 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.03 0.382 . . . . 73.34 112.03 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 1.3 tt0 -66.29 58.25 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.857 -0.61 . . . . 71.23 111.113 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -175.17 -43.11 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.943 -0.646 . . . . 72.21 112.51 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.2 -35.93 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 73.2 110.816 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 56.19 81.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 72.03 110.933 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.2 t -71.61 130.71 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.237 -0.438 . . . . 70.23 110.616 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -93.59 126.41 38.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.327 -0.397 . . . . 72.21 111.175 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.6 105.98 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 73.25 110.84 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.39 169.5 17.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 63.3 111.006 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.56 20.84 70.28 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.758 -0.734 . . . . 74.03 112.416 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -95.96 111.42 23.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 70.14 110.709 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 p -122.57 109.17 32.83 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 74.1 111.033 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.16 127.96 11.76 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.515 2.143 . . . . 70.12 112.47 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.59 -42.55 22.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.731 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -126.57 122.41 35.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 74.42 110.602 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -163.87 -44.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 51.34 111.124 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 74.24 111.023 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ttm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.825 0.345 . . . . 74.34 111.158 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.07 74.18 0.51 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.708 -0.758 . . . . 74.12 112.527 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.08 121.7 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 63.22 111.112 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' H ' ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -61.41 149.45 38.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.724 -0.671 . . . . 75.15 110.774 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.5 m -119.55 113.83 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 75.42 110.663 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.9 pt -80.98 -177.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 72.21 111.196 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -118.96 100.46 7.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.921 -0.581 . . . . 72.41 110.001 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.574 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 22.8 t -62.32 145.8 52.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 65.22 110.782 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.5 t -96.89 -22.21 17.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 74.14 110.629 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -74.3 -44.89 50.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 73.04 109.842 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -92.43 -18.46 23.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.577 -0.738 . . . . 73.11 110.628 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 62.36 41.17 10.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 71.4 110.485 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HD2' ' HB3' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -140.24 -173.82 3.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 74.21 110.372 179.123 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -103.51 112.71 25.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 65.42 110.764 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.96 158.94 26.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 73.25 111.286 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.03 -22.12 36.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 72.43 111.433 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.46 -151.88 52.0 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.795 -0.717 . . . . 53.22 112.869 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -116.44 167.14 11.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.85 0.357 . . . . 72.41 110.977 -179.738 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -106.86 -23.57 12.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 63.02 111.182 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -138.41 144.24 40.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 75.5 111.016 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 45.5 tt0 -64.21 118.69 8.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.81 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.32 -36.93 22.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 71.53 111.579 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.634 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -100.97 164.09 16.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.607 0.242 . . . . 71.5 110.544 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 9.0 Cg_endo -92.21 -165.41 0.15 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.901 2.401 . . . . 65.33 112.718 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.63 -148.81 0.52 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.392 -0.822 . . . . 62.31 114.128 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -81.51 -38.13 26.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.135 -0.533 . . . . 61.3 111.581 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -56.08 -46.06 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 73.23 110.5 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.579 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -58.07 -34.84 74.21 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.17 -1.014 . . . . 70.33 111.856 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -41.94 77.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.564 0.221 . . . . 74.43 110.985 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 16.2 ptm180 -70.07 -43.8 70.41 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.615 -0.266 . . . . 74.43 110.936 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.487 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 6.5 mt -60.12 -53.51 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 CA-C-O 121.628 0.728 . . . . 75.33 109.434 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.444 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -60.15 -18.26 46.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.684 -1.144 . . . . 75.01 109.97 178.538 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -96.54 -54.87 3.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.906 0.706 . . . . 73.34 112.906 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.574 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 20.3 mt-10 -94.68 -16.17 23.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.794 0.665 . . . . 71.44 112.794 -177.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 ' HB ' HG21 ' A' ' 31' ' ' ILE . 15.2 mm -109.34 127.35 66.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.887 0.375 . . . . 72.42 110.585 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -94.49 178.28 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 70.31 111.202 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -63.04 -37.08 85.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 71.22 110.973 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 2.4 tt0 -57.83 -44.82 86.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.866 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.21 -36.76 29.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.496 -0.32 . . . . 64.24 110.849 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.515 ' CZ3' ' CD1' ' A' ' 43' ' ' TRP . 52.8 t-105 -62.64 -38.16 89.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 75.41 110.35 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.0 94.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.117 -0.492 . . . . 63.23 110.345 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 17.3 mt-30 -64.18 -33.23 75.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 75.14 110.215 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 26.1 t-105 -70.38 -49.87 44.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 73.42 110.489 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.75 -50.68 43.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 74.45 110.515 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -57.56 -31.86 66.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.933 -0.576 . . . . 71.33 110.351 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 3.2 tppt? -83.68 -28.79 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 74.13 110.594 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -62.18 -53.84 49.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 75.45 110.465 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 t -53.58 -48.67 68.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.846 -0.615 . . . . 74.14 111.623 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 20.0 ptm -66.68 -35.17 79.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 74.2 111.167 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.612 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 15.6 mt -58.91 -34.65 71.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.021 0.439 . . . . 74.11 110.386 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.0 mt -80.66 -37.85 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 73.01 111.074 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -73.11 -40.31 65.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.89 -0.596 . . . . 75.53 111.649 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -78.56 -54.34 6.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.642 -0.254 . . . . 72.53 111.572 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.612 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.4 -8.51 54.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.603 0.239 . . . . 71.11 111.238 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? 63.87 60.37 1.05 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.806 0.336 . . . . 74.11 110.975 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.9 mt -92.85 -175.77 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.536 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.85 102.13 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.945 0.402 . . . . 70.12 110.821 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.439 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -61.79 -14.08 29.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 73.33 111.58 -179.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 ttm -79.43 -8.67 59.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.707 0.289 . . . . 74.53 110.808 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.48 124.88 46.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 73.54 110.493 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -54.0 -35.53 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 75.0 111.36 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -54.43 -43.19 71.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.393 . . . . 73.41 111.474 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -85.58 -39.2 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 65.41 110.996 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -47.11 -48.9 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 71.4 110.999 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -65.89 -26.92 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 61.24 110.838 179.838 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -44.18 74.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.375 -0.375 . . . . 65.44 110.702 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' ' CZ2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -61.89 -45.19 94.81 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.82 -0.437 . . . . 72.34 109.82 179.191 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' CG ' HD11 ' A' ' 27' ' ' LEU . 18.6 tt0 -57.76 -21.58 42.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.781 -0.645 . . . . 75.24 110.138 179.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -80.38 -50.37 10.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.789 -0.641 . . . . 75.11 110.622 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.82 -25.63 67.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 75.23 111.534 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 3.1 ptm -58.39 -33.98 70.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 72.11 110.97 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.524 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 83.6 t -63.51 -59.71 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.204 0.526 . . . . 73.42 109.776 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -48.46 -22.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.717 -0.674 . . . . 64.34 111.52 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -93.39 -53.11 4.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.525 -0.307 . . . . 74.22 111.667 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mt -101.97 -39.57 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.845 0.683 . . . . 74.13 112.845 -178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.524 ' HB2' ' HA ' ' A' ' 72' ' ' VAL . 30.8 m-85 -101.67 28.72 5.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.94 0.4 . . . . 73.34 111.606 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 tt0 -66.74 59.44 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.586 -0.733 . . . . 71.23 110.703 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -161.74 -41.09 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.879 -0.889 . . . . 72.21 110.879 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.7 79.19 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.481 -0.563 . . . . 73.2 109.481 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.32 90.54 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 72.03 111.627 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.4 t -89.6 41.57 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.206 -0.452 . . . . 70.23 110.352 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 82' ' ' HIS . 2.9 m170 -90.34 116.35 28.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.049 -0.523 . . . . 72.21 110.892 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 86' ' ' TYR . 2.8 mp -137.96 139.21 42.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.806 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.97 78.29 9.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 63.3 110.965 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.28 72.14 0.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.816 -0.707 . . . . 74.03 112.653 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 1.1 t80 -127.91 110.77 12.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 70.14 110.842 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.55 87.83 27.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.1 110.789 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.13 93.8 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.595 2.196 . . . . 70.12 112.365 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.37 -38.52 17.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 73.11 110.769 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.05 101.29 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 74.42 110.793 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -69.36 83.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 51.34 110.901 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 74.24 110.906 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 mtp . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.755 0.312 . . . . 74.34 111.233 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 126.49 -164.26 20.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 74.12 112.433 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -119.77 128.58 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.322 . . . . 63.22 110.745 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -92.7 96.41 10.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 75.15 110.851 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.9 m -89.4 114.01 25.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 75.42 110.513 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt -80.08 -175.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 72.21 111.34 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 7.0 t80 -119.66 96.73 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 72.41 110.265 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 24.4 t -59.46 146.66 39.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 65.22 110.849 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -98.03 -24.53 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 74.14 110.729 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -74.38 -45.0 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.112 0.482 . . . . 73.04 109.965 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.0 -18.75 28.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.64 -0.709 . . . . 73.11 110.728 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 62.48 40.49 10.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.417 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -142.17 -171.17 3.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.972 -0.558 . . . . 74.21 110.39 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -106.88 114.22 28.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 65.42 110.45 179.646 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.98 158.97 43.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.052 0.454 . . . . 73.25 111.663 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 176.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 72.43 110.799 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -128.72 -172.9 13.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.55 -0.833 . . . . 53.22 112.791 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.0 143.61 32.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 72.41 110.529 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -27.62 35.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 63.02 111.29 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -130.11 132.76 46.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.351 . . . . 75.5 111.24 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 26.9 tt0 -60.55 137.35 58.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.622 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.2 mt -96.75 -42.25 8.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 71.53 111.365 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.616 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -93.92 160.43 32.45 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.352 -0.385 . . . . 71.5 110.262 179.643 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.575 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 24.5 Cg_endo -89.29 -176.48 1.33 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.55 2.167 . . . . 65.33 113.195 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.96 -139.79 1.99 Allowed Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.182 -0.917 . . . . 62.31 114.267 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.623 ' HG3' ' HA ' ' A' ' 84' ' ' GLU . 4.3 mm-40 -81.44 -43.36 19.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.324 -0.438 . . . . 61.3 111.977 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 mt -47.11 -45.8 22.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.902 0.382 . . . . 73.23 110.211 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.616 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -65.44 -32.17 82.61 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.687 -0.768 . . . . 70.33 112.252 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 4.8 ttpp -61.35 -55.71 28.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 74.43 110.318 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 1.8 ptp180 -59.92 -42.44 93.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.015 -0.538 . . . . 74.43 112.106 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 HD12 ' HA2' ' A' ' 28' ' ' GLY . 8.0 mt -60.51 -59.27 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-O 121.654 0.74 . . . . 75.33 109.879 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -17.9 27.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.73 -1.123 . . . . 75.01 110.371 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.2 m-80 -95.51 -61.25 1.5 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.389 0.514 . . . . 73.34 112.389 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.547 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 mm-40 -94.59 -15.96 23.63 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.904 0.705 . . . . 71.44 112.904 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' ILE . 13.0 mm -105.0 94.61 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 72.42 110.6 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 p -58.46 -177.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.044 -0.525 . . . . 70.31 110.793 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -27.48 62.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 71.22 110.812 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -47.11 72.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 72.33 110.783 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.43 -40.62 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 64.24 110.975 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.405 ' CE3' HG23 ' A' ' 31' ' ' ILE . 32.5 t-105 -60.28 -35.88 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.41 110.779 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.19 -23.25 65.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 63.23 111.093 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -80.1 -27.87 39.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.385 . . . . 75.14 110.224 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 24.9 t-105 -81.46 -52.82 6.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.038 -0.528 . . . . 73.42 110.342 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -48.0 -40.27 22.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 74.45 110.581 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -65.22 -33.01 74.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.847 -0.615 . . . . 71.33 110.037 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.549 ' O ' ' HG3' ' A' ' 49' ' ' MET . 9.7 tptt -86.39 -19.53 29.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.853 -0.612 . . . . 74.13 110.639 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.444 ' HG3' HD13 ' A' ' 67' ' ' LEU . 2.2 tt0 -70.01 -46.91 64.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 75.45 110.516 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 t -57.53 -40.87 79.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.994 -0.548 . . . . 74.14 111.788 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.549 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -74.11 -37.3 64.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.692 0.282 . . . . 74.2 111.235 -179.578 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 50.0 mt -62.25 -28.96 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 74.11 110.818 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 70.6 mt -84.16 -36.07 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.013 0.435 . . . . 73.01 110.942 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -77.88 -32.55 51.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.734 -0.667 . . . . 75.53 111.161 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -82.68 -54.46 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 72.53 111.404 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -72.31 -8.42 54.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.541 -0.3 . . . . 71.11 111.094 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt 65.69 60.81 0.7 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.842 0.354 . . . . 74.11 110.418 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 72.6 mt -95.26 -175.74 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 75.54 110.587 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -152.76 106.14 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.431 -0.349 . . . . 70.12 110.692 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -11.53 13.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 73.33 111.713 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 ttt -79.46 -20.63 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.729 0.299 . . . . 74.53 110.692 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.49 132.04 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.54 110.564 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.05 -29.83 71.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 75.0 111.172 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -35.59 81.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 73.41 110.879 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -85.17 -36.21 21.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 65.41 110.723 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.408 HH11 ' HA ' ' A' ' 64' ' ' ARG . 1.1 tpt85 -57.86 -42.29 84.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.4 110.412 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.664 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -68.18 -17.32 64.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.829 -0.623 . . . . 61.24 110.782 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.06 -43.78 77.85 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.668 -0.413 . . . . 65.44 109.931 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.503 HD13 ' CZ2' ' A' ' 43' ' ' TRP . 2.7 mm? -62.59 -47.8 82.21 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.615 -0.513 . . . . 72.34 109.615 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 7.0 pt-20 -60.91 -22.17 64.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.877 -0.601 . . . . 75.24 109.972 178.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -76.41 -47.73 22.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.833 -0.621 . . . . 75.11 110.164 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.68 -37.99 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.867 -0.606 . . . . 75.23 110.654 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.545 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -47.39 -39.37 15.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.317 -0.401 . . . . 72.11 110.9 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.468 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 93.7 t -58.23 -58.07 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.131 0.491 . . . . 73.42 110.396 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 3.2 t-20 -51.22 -20.74 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.852 -0.613 . . . . 64.34 111.479 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -95.79 -49.48 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.784 0.29 . . . . 74.22 111.784 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.22 -46.35 4.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.333 0.494 . . . . 74.13 112.333 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 30' ' ' ARG . 48.1 m-85 -96.95 28.84 3.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.322 -0.399 . . . . 73.34 112.024 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.7 tm-20 -66.37 50.02 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.74 -0.663 . . . . 71.23 111.138 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -147.3 -36.09 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.231 -0.748 . . . . 72.21 111.231 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.83 65.46 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.985 0.421 . . . . 73.2 110.267 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.49 -23.43 10.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.927 -0.578 . . . . 72.03 111.467 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 p -75.41 108.49 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.287 -0.415 . . . . 70.23 110.913 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.74 151.6 37.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 72.21 111.258 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.2 mt -135.5 143.22 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 73.25 110.999 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.623 ' HA ' ' HG3' ' A' ' 26' ' ' GLU . 18.6 mm-40 -115.58 147.16 41.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 63.3 111.359 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.8 -31.75 6.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.823 -0.703 . . . . 74.03 112.331 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.06 108.54 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 70.14 110.998 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -115.78 104.81 52.43 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.991 -0.549 . . . . 74.1 110.618 179.782 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.54 23.07 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.369 2.046 . . . . 70.12 112.889 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 87' ' ' THR . 9.5 tt0 -71.15 -34.2 70.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.975 0.417 . . . . 73.11 110.753 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.71 -25.35 66.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 74.42 111.067 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.85 98.92 8.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 51.34 110.887 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.043 -0.526 . . . . 74.24 111.11 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ttm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.726 0.298 . . . . 74.34 111.376 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.7 112.51 0.26 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.477 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 m -140.09 163.37 32.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 63.22 111.071 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -71.49 119.34 15.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.531 . . . . 75.15 110.987 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -91.84 119.34 31.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.5 pt -82.32 179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.163 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -112.19 96.69 6.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.518 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 19.3 t -59.21 150.23 26.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 65.22 110.789 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t -101.51 -22.05 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.334 . . . . 74.14 110.892 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 29.3 t80 -74.16 -47.71 34.06 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.824 -0.435 . . . . 73.04 109.824 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.02 -17.39 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.664 -0.698 . . . . 73.11 110.891 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 62.5 39.98 11.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 71.4 110.215 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -138.91 -169.63 2.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.769 -0.65 . . . . 74.21 110.109 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -109.84 113.94 27.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.442 -0.344 . . . . 65.42 110.679 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.5 168.41 19.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 73.25 111.541 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -55.88 167.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.893 -0.594 . . . . 72.43 111.062 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.32 152.69 17.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.678 -0.772 . . . . 53.22 112.371 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 10.2 mp0 -69.47 161.43 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 72.41 110.89 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -90.89 -34.29 15.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 63.02 110.963 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -139.73 153.26 47.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 75.5 111.144 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' OE1' ' HG3' ' A' ' 29' ' ' LYS . 10.4 tt0 -68.13 118.77 11.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 75.54 110.948 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 40' ' ' TRP . 13.5 mt -81.21 -34.03 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 71.53 110.42 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -98.16 165.23 15.69 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 71.5 109.923 179.185 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 10.9 Cg_endo -94.31 -172.38 0.28 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 123.033 2.489 . . . . 65.33 113.595 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.47 -142.86 1.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.255 -0.884 . . . . 62.31 114.116 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -80.9 -38.4 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.527 -0.337 . . . . 61.3 111.183 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -50.27 -54.32 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.659 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.585 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -57.85 -31.52 64.61 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.173 -1.013 . . . . 70.33 111.549 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -63.1 -55.57 24.26 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.161 -0.311 . . . . 74.43 110.161 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 12.2 ptp180 -60.46 -40.77 92.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.162 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.456 ' CG2' ' CE3' ' A' ' 40' ' ' TRP . 10.1 mt -60.88 -62.99 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-O 121.539 0.685 . . . . 75.33 109.693 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.412 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -56.87 -18.36 12.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.844 -1.071 . . . . 75.01 110.703 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.8 m-80 -96.9 -58.85 1.93 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.005 0.742 . . . . 73.34 113.005 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.555 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 5.7 mm-40 -94.89 -17.46 22.02 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.01 0.745 . . . . 71.44 113.01 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 76' ' ' PHE . 22.1 mm -103.26 100.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.185 0.517 . . . . 72.42 111.337 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 m -64.15 172.11 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.592 -0.731 . . . . 70.31 110.768 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -31.03 71.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.313 -0.403 . . . . 71.22 111.045 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.69 -41.0 96.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 72.33 110.785 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.82 -43.67 21.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 64.24 111.104 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.456 ' CE3' ' CG2' ' A' ' 31' ' ' ILE . 39.8 t-105 -55.43 -35.51 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.41 110.975 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.0 -50.7 69.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 63.23 110.118 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -54.88 -36.12 64.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 75.14 110.324 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 36.7 t-105 -68.92 -58.31 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 73.42 110.699 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.18 -42.56 14.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.304 -0.407 . . . . 74.45 110.751 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -66.5 -31.91 72.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 71.33 110.141 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 4.3 tptp -83.07 -26.54 31.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.99 -0.55 . . . . 74.13 110.207 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -66.57 -50.01 64.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.502 . . . . 75.45 110.811 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.4 t -56.74 -43.47 80.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.593 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.4 ptp -70.86 -38.54 73.14 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 121.117 -0.233 . . . . 74.2 111.137 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 31.9 mt -58.4 -42.31 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.0 0.429 . . . . 74.11 110.323 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.402 HG23 ' CE ' ' A' ' 58' ' ' MET . 85.4 mt -69.94 -36.78 70.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.081 -0.509 . . . . 73.01 111.592 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -73.27 -48.1 37.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.416 -0.356 . . . . 75.53 111.105 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.65 -53.81 14.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.473 -0.33 . . . . 72.53 110.96 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.21 -15.06 61.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.797 0.332 . . . . 71.11 110.854 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 66.5 62.54 0.54 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.284 -0.416 . . . . 74.11 110.961 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' HB2' ' CG2' ' A' ' 51' ' ' ILE . 63.6 mt -91.97 -170.45 2.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.505 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.88 101.59 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 70.12 110.79 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.526 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -58.9 -18.31 32.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 73.33 111.462 -179.624 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtm -79.29 -19.44 50.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 74.53 110.698 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -102.83 118.81 37.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 73.54 110.66 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.71 -27.78 52.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 75.0 111.208 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -65.97 -36.67 83.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.41 -0.359 . . . . 73.41 110.792 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -85.45 -42.78 14.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.226 -0.443 . . . . 65.41 110.856 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.526 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.94 -43.11 63.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 71.4 110.556 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -64.48 -24.09 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 61.24 110.317 179.192 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -48.66 80.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.236 -0.438 . . . . 65.44 110.379 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.43 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 3.8 mm? -53.92 -47.13 71.51 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.439 -0.578 . . . . 72.34 109.439 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.503 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 6.4 tt0 -55.32 -23.7 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.533 -0.758 . . . . 75.24 110.183 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.44 -50.0 10.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.993 -0.549 . . . . 75.11 110.892 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.19 -32.74 67.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 75.23 111.079 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.521 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -53.44 -48.28 68.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.494 -0.321 . . . . 72.11 110.707 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.532 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 93.3 t -52.1 -57.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 73.42 110.639 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -52.92 -19.25 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.18 -0.463 . . . . 64.34 111.112 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.445 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 36.4 t80 -94.78 -52.36 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.637 0.256 . . . . 74.22 111.352 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.447 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -102.2 -45.95 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.499 0.555 . . . . 74.13 112.499 -178.642 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.543 ' C ' ' H ' ' A' ' 78' ' ' GLY . 48.6 m-85 -96.43 28.65 3.22 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.577 0.584 . . . . 73.34 112.577 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -66.09 36.54 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 111.892 0.33 . . . . 71.23 111.892 -179.55 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 76' ' ' PHE . . . -124.62 -16.79 2.99 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.889 -0.484 . . . . 72.21 111.889 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.25 59.46 1.73 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.091 0.472 . . . . 73.2 110.106 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.4 113.07 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.576 . . . . 72.03 111.557 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.7 t -82.05 138.64 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 116.142 -0.481 . . . . 70.23 111.025 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -106.67 172.73 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.948 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.9 mp -80.74 142.89 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.25 111.43 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -126.29 136.36 52.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 63.3 110.915 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.6 40.11 2.61 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.728 -0.749 . . . . 74.03 112.501 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -95.93 117.9 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 70.14 110.677 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.9 p -133.65 92.04 24.33 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 74.1 111.315 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.02 112.02 3.46 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.462 2.108 . . . . 70.12 112.19 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -70.17 -32.21 70.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 73.11 111.281 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -175.73 -43.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 74.42 110.985 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.69 77.28 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 51.34 110.724 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 74.24 111.213 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.4 HG22 ' HG2' ' A' ' 14' ' ' GLU . 3.5 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.914 0.388 . . . . 75.42 110.962 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ALA . 23.4 pt -79.6 -176.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 72.21 111.15 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 32.4 t80 -122.27 99.14 6.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.895 -0.593 . . . . 72.41 109.793 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 23.5 t -58.96 148.83 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 65.22 111.205 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.585 HG22 HD13 ' A' ' 35' ' ' ILE . 15.3 t -98.42 -26.47 14.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.674 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -74.62 -42.45 58.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.166 -0.47 . . . . 73.04 110.051 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -91.44 -18.96 23.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.807 -0.633 . . . . 73.11 110.397 179.248 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 60.49 41.78 15.29 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.112 -0.495 . . . . 71.4 110.279 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.64 -173.13 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 73.2 110.133 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.6 tt0 -104.45 111.94 24.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 65.42 110.848 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . -113.56 179.61 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 54.41 111.095 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.62 -11.24 59.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 72.43 111.456 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.06 174.44 1.9 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.685 -0.769 . . . . 53.22 112.471 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' HG3' ' HG3' ' A' ' 37' ' ' LYS . 8.7 mp0 -88.6 178.74 6.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 62.42 111.146 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.45 -24.47 7.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 63.02 111.378 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -139.98 138.69 35.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 75.5 111.025 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 30.5 tt0 -61.58 132.02 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.991 -0.55 . . . . 75.54 111.017 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.6 mt -99.51 -42.55 6.88 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.082 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.647 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -88.31 164.67 32.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.623 -0.51 . . . . 71.5 109.623 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 25.9 Cg_endo -87.19 -178.86 2.61 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.5 2.133 . . . . 65.33 113.263 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.23 -141.28 1.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.195 -0.912 . . . . 62.31 114.694 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.51 -38.38 34.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.108 -0.546 . . . . 61.3 111.146 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.884 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -47.88 -54.18 13.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 70.03 110.365 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.676 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -58.5 -28.4 62.28 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.258 -0.972 . . . . 70.33 111.699 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -64.91 -58.26 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.558 0.218 . . . . 74.43 110.688 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -55.77 -40.06 72.1 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 116.584 -0.28 . . . . 74.43 111.039 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.884 HD11 HD12 ' A' ' 27' ' ' LEU . 8.9 mt -63.42 -56.8 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.566 0.698 . . . . 73.55 109.432 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -60.08 -18.24 45.51 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.776 -1.102 . . . . 75.01 110.426 178.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.4 m-80 -99.16 -57.91 2.06 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.971 0.73 . . . . 73.34 112.971 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.5 mm-40 -94.82 -19.18 20.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.96 0.726 . . . . 71.44 112.96 -177.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.585 HD13 HG22 ' A' ' 9' ' ' THR . 17.4 mm -103.15 97.57 5.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.975 0.417 . . . . 72.42 110.536 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.0 t -61.82 172.01 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 70.31 111.143 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HG3' ' HG3' ' A' ' 18' ' ' GLN . 42.7 mttt -59.45 -37.81 79.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 71.22 110.829 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -46.97 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.844 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.58 88.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.942 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.509 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 20.0 t-105 -62.68 -37.0 84.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 72.4 110.751 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 -20.72 66.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 53.14 110.921 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.06 -28.44 29.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 75.14 110.374 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 14.2 t-105 -84.87 -52.89 5.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 55.12 110.245 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -45.14 -41.87 8.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.246 -0.433 . . . . 74.45 111.079 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -63.56 -43.52 96.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 61.45 110.452 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.482 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.46 -23.12 50.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.415 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' TRP . 31.8 tt0 -68.75 -55.7 10.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.273 -0.421 . . . . 75.45 111.13 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.2 t -52.47 -39.74 61.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 74.14 111.862 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -78.82 -33.22 46.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.65 0.262 . . . . 74.2 111.053 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 22.5 mt -63.8 -32.68 74.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.976 0.417 . . . . 72.5 110.391 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.019 HD11 HD11 ' A' ' 67' ' ' LEU . 77.3 mt -74.88 -36.04 38.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.975 -0.557 . . . . 73.01 110.904 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -77.95 -35.16 50.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 75.53 111.137 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.89 -54.2 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.458 -0.337 . . . . 72.53 111.171 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' NZ ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.95 -6.63 50.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.345 . . . . 71.11 111.14 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 62.77 59.18 1.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.993 0.425 . . . . 74.11 110.581 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.826 HD21 HD22 ' A' ' 66' ' ' LEU . 55.6 mt -87.38 -174.2 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 75.54 110.583 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 3.9 t30 -160.17 103.14 1.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.921 0.391 . . . . 70.12 110.439 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.802 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -60.41 -18.87 53.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.572 . . . . 34.55 111.407 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -25.0 40.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.758 0.313 . . . . 74.53 110.691 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -94.8 137.24 34.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 73.54 110.565 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -70.71 -29.81 66.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.26 -37.78 88.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 72.21 111.197 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -85.38 -42.85 14.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 60.41 110.738 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 2.3 tpt180 -46.27 -53.27 11.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 71.4 110.721 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -61.66 -27.06 68.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.951 -0.568 . . . . 61.24 110.443 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.826 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -66.37 -45.12 81.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 65.44 110.474 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.019 HD11 HD11 ' A' ' 51' ' ' ILE . 1.7 mt -56.83 -52.27 65.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.078 0.466 . . . . 63.34 109.916 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.7 tm-20 -54.9 -23.76 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.576 -0.738 . . . . 75.24 110.396 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 66' ' ' LEU . 6.7 tm0? -75.36 -46.73 31.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.139 -0.482 . . . . 75.11 110.692 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.93 -51.23 62.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 62.35 111.209 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.52 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -44.68 -44.23 8.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.52 -0.309 . . . . 72.11 111.296 -179.517 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.798 HG13 ' HB2' ' A' ' 76' ' ' PHE . 58.1 t -53.72 -59.29 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.888 0.375 . . . . 73.42 110.868 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -51.16 -20.73 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 64.34 111.475 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -95.21 -49.26 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.526 -0.306 . . . . 74.22 111.567 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.43 HD12 ' HG3' ' A' ' 71' ' ' MET . 0.2 OUTLIER -103.32 -49.89 3.61 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.517 0.562 . . . . 74.13 112.517 -178.811 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.798 ' HB2' HG13 ' A' ' 72' ' ' VAL . 61.8 m-85 -93.94 28.53 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.62 0.6 . . . . 73.34 112.62 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.8 OUTLIER -68.02 59.28 0.07 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.914 -0.585 . . . . 71.23 110.767 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.622 0 CA-C-N 115.814 -0.63 . . . . 72.21 112.582 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.561 HG22 ' H ' ' A' ' 6' ' ' ILE . 1.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.556 0.217 . . . . 75.42 110.735 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.561 ' H ' HG22 ' A' ' 5' ' ' THR . 5.1 pt -145.49 170.36 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.457 -0.338 . . . . 72.21 110.42 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -105.49 95.82 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.416 -0.357 . . . . 72.41 110.243 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 28.8 t -61.93 150.56 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 65.22 110.678 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.602 HG22 HD13 ' A' ' 35' ' ' ILE . 12.7 t -100.63 -22.26 15.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.865 0.364 . . . . 73.23 110.589 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -74.39 -47.36 34.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.985 -0.552 . . . . 73.04 110.092 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.65 -17.18 30.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 73.11 110.362 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 61.04 41.0 14.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.146 0.498 . . . . 71.4 110.312 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -143.79 -170.26 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.475 -0.784 . . . . 73.2 109.693 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 5.9 tt0 -104.83 103.83 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.986 0.422 . . . . 65.42 110.761 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' HG13 ' A' ' 6' ' ' ILE . . . -122.44 165.1 16.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.933 -0.576 . . . . 54.41 110.995 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 -57.41 158.72 5.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.466 -0.334 . . . . 72.43 110.752 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.47 173.98 15.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.762 . . . . 53.22 112.356 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -97.77 152.53 19.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 62.42 110.892 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -99.01 -21.25 16.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 63.02 111.177 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -127.04 126.09 42.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 75.5 111.04 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -60.33 133.18 55.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.703 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mt -92.4 -42.37 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.556 . . . . 71.53 110.697 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.657 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -93.78 165.65 17.52 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.685 -0.487 . . . . 71.5 109.685 178.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.645 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 16.7 Cg_endo -92.21 -170.54 0.31 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.868 2.379 . . . . 65.33 112.872 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.46 -143.52 0.59 Allowed Glycine 0 C--N 1.33 0.201 0 CA-C-N 115.479 -0.782 . . . . 62.31 114.446 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -80.33 -37.3 32.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.126 -0.537 . . . . 61.3 111.364 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.985 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -51.5 -52.99 42.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 70.03 110.362 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.883 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -55.85 -32.32 58.99 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.279 -0.962 . . . . 70.33 111.51 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -60.51 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.627 0.251 . . . . 74.43 110.446 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.616 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 1.9 ptp180 -56.74 -39.71 74.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.305 -0.407 . . . . 74.43 111.47 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.985 HD11 HD12 ' A' ' 27' ' ' LEU . 5.5 mt -63.54 -60.8 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 121.526 0.679 . . . . 73.55 109.815 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -57.01 -18.29 13.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.03 -0.987 . . . . 75.01 110.617 179.257 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -99.89 -55.3 2.68 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.18 0.807 . . . . 73.34 113.18 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 mm-40 -94.73 -18.12 21.57 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.769 0.655 . . . . 71.44 112.769 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.602 HD13 HG22 ' A' ' 9' ' ' THR . 13.9 mm -103.48 94.14 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.89 0.376 . . . . 72.42 110.766 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.6 p -57.5 170.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.526 . . . . 70.31 111.003 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -60.86 -25.31 66.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 71.22 110.846 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -46.34 75.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 72.33 111.595 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.563 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -71.37 -43.76 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.822 0.304 . . . . 63.44 111.822 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.591 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 58.1 t-105 -54.52 -41.89 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.736 0.303 . . . . 72.4 111.095 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.41 68.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.362 . . . . 53.14 110.796 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -73.77 -38.07 64.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.404 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 15.9 t-105 -68.24 -50.39 54.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 55.12 110.171 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -46.87 -41.57 15.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.415 . . . . 74.45 110.738 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.415 ' O ' HG22 ' A' ' 48' ' ' THR . 49.0 t60 -65.5 -42.02 92.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.866 -0.606 . . . . 61.45 110.746 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 49' ' ' MET . 6.5 tptt -80.06 -19.73 46.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.697 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' TRP . 9.1 tt0 -69.28 -55.73 9.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.274 -0.421 . . . . 75.45 110.764 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 45' ' ' HIS . 11.6 t -49.5 -42.44 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 74.14 111.8 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -75.51 -35.53 60.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 74.2 110.78 -179.61 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.652 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 19.4 mt -62.84 -27.73 69.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.383 . . . . 72.5 110.296 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.069 HD11 HD11 ' A' ' 67' ' ' LEU . 50.9 mt -84.53 -44.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 73.01 110.846 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -68.28 -35.56 78.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.954 -0.566 . . . . 75.53 111.443 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.39 -49.57 9.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.415 -0.357 . . . . 72.53 111.763 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.652 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -73.93 -9.41 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.677 0.275 . . . . 71.11 110.87 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mttm 64.53 55.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.978 0.418 . . . . 74.11 110.628 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.97 ' HB2' HG23 ' A' ' 51' ' ' ILE . 44.3 mt -84.04 -171.97 3.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 75.54 110.376 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -160.12 96.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.414 -0.357 . . . . 70.12 110.631 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.863 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.84 -20.22 34.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 34.55 111.32 -179.587 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.7 mtt -81.3 10.77 5.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.56 -0.291 . . . . 74.53 111.558 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -138.9 128.16 24.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.351 . . . . 73.54 110.721 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.98 -24.94 63.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.243 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.63 -45.35 87.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 72.21 111.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -85.41 -34.87 21.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.937 0.398 . . . . 60.41 110.556 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -48.26 -48.31 35.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.011 -0.54 . . . . 71.4 110.373 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -66.22 -30.86 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.798 -0.637 . . . . 61.24 110.137 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -49.03 69.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 65.44 110.76 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.069 HD11 HD11 ' A' ' 51' ' ' ILE . 4.4 mt -58.4 -46.09 87.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 63.34 110.401 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.506 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -53.19 -21.79 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.79 -0.641 . . . . 75.24 110.495 179.353 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.92 -52.26 6.86 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.112 -0.494 . . . . 75.11 111.418 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' OE1' HD22 ' A' ' 50' ' ' LEU . 5.6 mt-10 -61.52 -42.05 98.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.462 -0.335 . . . . 62.35 111.175 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -48.53 -45.57 37.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 72.11 111.17 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.82 HG13 ' HB2' ' A' ' 76' ' ' PHE . 93.3 t -51.29 -57.01 3.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.924 0.392 . . . . 73.42 110.262 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 20.9 t-20 -51.39 -20.68 1.87 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.89 -0.596 . . . . 64.34 111.114 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -95.46 -51.43 4.56 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.407 -0.36 . . . . 74.22 111.937 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.03 -44.72 5.14 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.62 0.6 . . . . 74.13 112.62 -178.353 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.82 ' HB2' HG13 ' A' ' 72' ' ' VAL . 56.2 m-85 -97.43 28.72 3.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.008 0.432 . . . . 73.34 112.127 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' VAL . 73.4 tt0 -67.31 59.29 0.05 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.518 -0.765 . . . . 71.23 111.083 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.515 0 C-N-CA 120.913 -0.661 . . . . 72.21 112.379 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.707 0.289 . . . . 75.42 110.391 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.42 ' CG1' ' O ' ' A' ' 15' ' ' ALA . 30.3 pt -80.47 -176.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.047 0.451 . . . . 72.21 111.594 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 21.5 t80 -117.15 100.36 7.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 72.41 109.802 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 35.4 t -60.82 146.56 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.429 -0.351 . . . . 65.22 110.442 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.618 HG22 HD13 ' A' ' 35' ' ' ILE . 12.1 t -98.84 -23.73 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.662 0.268 . . . . 73.23 110.863 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 55.2 t80 -74.56 -43.91 53.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.997 0.427 . . . . 73.04 110.014 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.0 -16.05 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 73.11 110.624 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 60.75 40.74 15.77 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.033 0.445 . . . . 71.4 110.241 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -142.31 -167.28 2.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 73.2 110.345 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 6.5 tt0 -106.44 123.83 48.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 65.42 110.49 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' O ' ' CG1' ' A' ' 6' ' ' ILE . . . -150.3 164.33 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.373 . . . . 54.41 111.339 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.41 168.39 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 72.43 111.056 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -124.63 152.0 17.4 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.725 -0.75 . . . . 53.22 112.443 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -57.9 179.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.805 0.336 . . . . 62.42 111.012 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -116.84 -28.79 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 63.02 111.325 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -136.94 136.45 38.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 75.5 111.187 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 43.0 tt0 -59.33 124.81 21.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.938 -0.573 . . . . 75.54 110.77 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 mt -89.81 -46.47 8.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 71.53 111.162 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.63 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -83.59 169.33 17.66 Favored Pre-proline 0 C--N 1.331 -0.213 0 N-CA-C 109.493 -0.558 . . . . 71.5 109.493 178.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.572 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 13.3 Cg_endo -92.37 179.04 1.36 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.743 2.295 . . . . 65.33 113.119 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.02 -142.71 1.69 Allowed Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.45 -0.796 . . . . 62.31 114.894 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 1.4 tp10 -79.14 -39.68 32.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.915 -0.642 . . . . 61.3 111.564 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.737 ' HG ' ' HG3' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -49.96 -49.72 49.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.974 0.416 . . . . 70.03 110.623 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.707 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -58.9 -33.35 73.27 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.175 -1.012 . . . . 70.33 112.116 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -58.56 -52.54 65.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.691 0.281 . . . . 74.43 111.077 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.723 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.3 ptp180 -59.15 -36.29 74.99 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.598 -0.274 . . . . 74.43 111.149 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.728 HD11 HD12 ' A' ' 27' ' ' LEU . 6.9 mt -66.52 -52.15 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-O 121.575 0.703 . . . . 73.55 109.418 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -18.38 64.22 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.862 -1.063 . . . . 75.01 110.034 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -100.64 -52.67 3.27 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.809 1.04 . . . . 73.34 113.809 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.5 mt-10 -98.69 -15.25 19.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.435 0.902 . . . . 71.44 113.435 -177.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.618 HD13 HG22 ' A' ' 9' ' ' THR . 25.0 mm -105.41 105.1 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.016 0.436 . . . . 72.42 111.483 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.6 p -62.91 167.42 4.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.939 -0.573 . . . . 70.31 110.83 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -60.17 -29.21 68.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.045 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.62 -44.13 67.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.463 -0.335 . . . . 72.33 111.287 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -66.91 -34.58 78.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.447 -0.342 . . . . 63.44 110.973 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.499 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.8 t-105 -64.38 -32.69 74.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.539 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.42 64.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 53.14 110.951 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.39 -35.54 25.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.106 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.663 ' CB ' HD11 ' A' ' 75' ' ' LEU . 16.9 t-105 -74.6 -52.43 11.81 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.074 -0.512 . . . . 55.12 110.1 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -43.77 -40.34 4.28 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.178 -0.464 . . . . 74.45 110.631 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.566 ' O ' HG22 ' A' ' 48' ' ' THR . 66.8 t60 -64.41 -47.9 77.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.708 -0.678 . . . . 61.45 110.289 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 4.0 tptt -72.38 -25.77 61.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.989 -0.55 . . . . 74.13 110.7 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -66.45 -56.58 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.96 0.41 . . . . 75.45 110.775 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 45' ' ' HIS . 12.9 t -50.24 -39.95 46.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 74.14 111.855 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 4.3 ptm -78.22 -42.67 30.64 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.97 -0.292 . . . . 74.2 110.817 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 23.9 mt -54.84 -26.17 33.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 72.5 110.587 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 67' ' ' LEU . 62.0 mt -84.53 -42.26 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 73.01 110.854 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -73.48 -36.01 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.928 -0.578 . . . . 75.53 111.383 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -52.77 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 72.53 111.385 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -77.6 -5.89 51.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.74 0.305 . . . . 71.11 111.019 179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.9 mttt 62.09 62.58 1.19 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.879 0.371 . . . . 74.11 110.716 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.804 ' HB2' HG23 ' A' ' 51' ' ' ILE . 37.6 mt -90.11 -174.28 4.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.984 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -158.36 100.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 70.12 110.635 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.868 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.23 -15.85 49.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.827 -0.624 . . . . 34.55 111.831 -179.498 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -7.29 58.69 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.077 -0.249 . . . . 74.53 111.113 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.89 130.1 53.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.345 . . . . 73.54 110.718 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -58.69 -30.04 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.372 . . . . 75.0 110.943 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -58.46 -45.12 89.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.028 -0.533 . . . . 72.21 111.528 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -85.11 -36.99 20.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 60.41 110.466 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -50.57 -49.2 56.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 71.4 110.724 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -66.63 -24.85 66.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 61.24 110.848 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.432 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -65.24 -50.06 67.29 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.025 -0.361 . . . . 65.44 110.025 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.051 HD11 HD11 ' A' ' 51' ' ' ILE . 4.3 mt -52.87 -43.75 66.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.275 0.56 . . . . 63.34 109.596 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.737 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 3.0 tt0 -53.47 -24.67 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.282 -0.872 . . . . 75.24 110.344 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.88 -45.08 29.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 75.11 110.71 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -67.88 -49.14 63.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 62.35 111.697 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.449 ' HA ' ' CE3' ' A' ' 43' ' ' TRP . 3.3 ptm -43.93 -37.49 2.91 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.546 -0.297 . . . . 72.11 111.538 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.759 HG13 ' HB2' ' A' ' 76' ' ' PHE . 72.5 t -63.59 -61.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 73.42 110.735 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 4.8 t-20 -50.38 -19.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 64.34 111.462 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.468 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 25.0 t80 -95.2 -50.02 5.23 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.734 0.272 . . . . 74.22 111.734 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.663 HD11 ' CB ' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -102.74 -46.77 4.61 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.506 0.558 . . . . 74.13 112.506 -178.666 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.759 ' HB2' HG13 ' A' ' 72' ' ' VAL . 81.9 m-85 -95.64 28.38 3.04 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 112.287 0.477 . . . . 73.34 112.287 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 23.2 tt0 -65.53 57.56 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.867 -0.606 . . . . 71.23 111.065 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.782 -0.723 . . . . 72.21 112.627 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.748 HG22 ' HG2' ' A' ' 14' ' ' GLU . 1.7 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.865 0.364 . . . . 75.42 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 22.1 pt -91.39 -179.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 72.21 111.135 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 1.2 t80 -116.12 97.69 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.435 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 36.8 t -63.08 105.57 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 65.22 111.381 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.431 HG22 ' CD1' ' A' ' 35' ' ' ILE . 7.5 t -60.24 -17.59 42.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 73.23 111.432 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -74.52 -53.17 9.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.921 0.391 . . . . 73.04 110.164 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -88.19 -8.99 54.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 73.11 110.696 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 58.84 41.17 21.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.324 -0.398 . . . . 71.4 110.361 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -143.88 174.89 10.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 73.2 110.273 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.748 ' HG2' HG22 ' A' ' 5' ' ' THR . 3.8 tt0 -95.38 117.08 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.946 0.403 . . . . 65.42 111.383 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.38 175.5 5.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.049 -0.523 . . . . 54.41 111.008 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -18.03 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.446 -0.343 . . . . 72.43 111.822 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.32 -167.9 22.21 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.636 -0.792 . . . . 53.22 112.633 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -113.88 179.67 3.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.793 0.33 . . . . 62.42 110.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.07 -22.3 7.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.231 -0.441 . . . . 63.02 111.54 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -128.9 142.98 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 75.5 111.104 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 25.8 tt0 -71.07 122.61 20.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 75.54 110.431 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 22' ' ' LEU . 6.8 mp -86.22 -36.3 19.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 71.53 111.645 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.637 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -97.79 169.25 8.77 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.475 -0.33 . . . . 71.5 110.165 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.577 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 15.4 Cg_endo -93.39 -170.1 0.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.019 2.479 . . . . 65.33 112.986 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.02 -143.96 0.22 Allowed Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.352 -0.84 . . . . 62.31 114.522 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 2.2 mt-10 -81.35 -34.76 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.237 -0.481 . . . . 61.3 111.148 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.718 HD23 ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -55.25 -47.63 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.783 0.325 . . . . 70.03 110.296 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.637 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -60.81 -31.29 75.25 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.141 -1.028 . . . . 70.33 111.678 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 16.9 mttm -64.73 -53.77 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.297 . . . . 74.43 110.334 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.718 ' HD3' HD23 ' A' ' 27' ' ' LEU . 6.3 ptm180 -58.84 -39.8 82.35 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.29 -0.414 . . . . 74.43 111.315 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.678 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 6.9 mt -65.29 -59.59 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.26 0.552 . . . . 73.55 110.075 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -18.56 56.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.528 -0.76 . . . . 75.01 110.714 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -100.57 -45.41 5.53 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.94 0.718 . . . . 73.34 112.94 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 29.6 mt-10 -100.97 -18.24 16.4 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.695 0.628 . . . . 71.44 112.695 -178.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.702 HG23 ' HB3' ' A' ' 39' ' ' ALA . 9.5 mm -109.14 126.66 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.947 0.403 . . . . 72.42 110.814 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.64 174.18 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 70.31 110.76 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -59.08 -34.99 72.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 71.22 110.859 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.588 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.0 tp10 -58.63 -42.49 88.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.037 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.702 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -79.3 -45.53 19.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 63.44 111.179 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.678 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 66.8 t-105 -55.52 -38.53 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 72.4 110.691 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.72 81.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 53.14 110.299 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -68.6 -29.74 68.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.798 -0.637 . . . . 75.14 110.278 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.54 ' HB2' HD21 ' A' ' 75' ' ' LEU . 23.0 t-105 -72.69 -50.35 25.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.072 -0.513 . . . . 55.12 110.627 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 9.1 mm100 -44.1 -51.75 7.74 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.996 0.427 . . . . 74.45 110.755 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -60.87 -51.96 67.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.878 -0.601 . . . . 61.45 110.54 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 20.4 tptt -66.2 -19.88 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.13 111.08 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.511 ' HG3' HD13 ' A' ' 67' ' ' LEU . 31.9 tt0 -77.89 -56.97 4.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.865 0.364 . . . . 75.45 110.917 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -53.82 -35.33 61.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 74.14 111.601 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.6 -37.29 50.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.328 . . . . 74.2 111.303 -179.579 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 19.0 mt -58.0 -33.36 68.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.401 . . . . 72.5 110.742 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.861 HG23 ' HB2' ' A' ' 56' ' ' LEU . 62.4 mt -73.8 -44.07 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.947 -0.57 . . . . 73.01 111.269 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -72.48 -28.53 62.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.209 -0.45 . . . . 75.53 111.028 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.24 -53.8 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 72.53 111.337 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 4.4 mptt -76.16 -2.2 29.92 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.48 -0.327 . . . . 71.11 111.409 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp 63.46 53.5 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 74.11 111.39 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.861 ' HB2' HG23 ' A' ' 51' ' ' ILE . 63.2 mt -88.69 174.88 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.415 -0.357 . . . . 75.54 110.218 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -150.39 105.1 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.963 0.411 . . . . 70.12 110.652 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.714 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -55.95 -22.58 27.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 34.55 111.315 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.0 0.48 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.518 -0.31 . . . . 74.53 111.147 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -119.18 137.07 53.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.304 . . . . 73.54 110.723 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.98 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.415 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -35.15 76.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 72.21 111.261 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -85.41 -39.58 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 60.41 111.066 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -49.75 -52.06 34.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.761 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -64.2 -29.03 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 61.24 110.811 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.767 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -60.79 -46.4 90.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.354 . . . . 65.44 110.8 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.844 HD11 HD11 ' A' ' 51' ' ' ILE . 1.4 mt -59.81 -44.15 94.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.965 0.412 . . . . 63.34 110.248 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 9.7 mt-10 -56.85 -23.47 44.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.95 -0.568 . . . . 75.24 109.841 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -47.53 16.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.586 -0.734 . . . . 75.11 110.584 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.448 ' OE1' HD22 ' A' ' 50' ' ' LEU . 3.2 mm-40 -60.16 -43.08 96.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.959 -0.564 . . . . 62.35 111.204 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 6.0 ptm -47.85 -35.51 10.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.39 -0.368 . . . . 72.11 111.381 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.825 HG13 ' HB2' ' A' ' 76' ' ' PHE . 98.9 t -63.14 -58.27 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 121.138 0.494 . . . . 73.42 109.845 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 53.2 t30 -49.7 -21.39 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 64.34 111.293 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -95.62 -49.1 5.53 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.422 -0.354 . . . . 74.22 111.875 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.23 -39.7 6.73 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.977 0.732 . . . . 74.13 112.977 -178.38 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.825 ' HB2' HG13 ' A' ' 72' ' ' VAL . 97.0 m-85 -105.9 28.5 7.52 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.089 0.403 . . . . 73.34 112.089 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.2 tt0 -65.84 58.35 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.905 -0.589 . . . . 71.23 111.293 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.449 -0.467 0 C-N-CA 120.68 -0.771 . . . . 72.21 113.051 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.774 0.321 . . . . 75.42 110.72 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 pt -80.86 -179.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 72.21 111.04 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.494 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 3.6 t80 -116.21 100.3 7.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.27 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 18.2 t -62.28 146.15 51.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 65.22 110.738 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.56 HG22 HD13 ' A' ' 35' ' ' ILE . 14.5 t -96.36 -22.22 17.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.455 -0.338 . . . . 73.23 110.633 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 37.0 t80 -74.56 -45.57 44.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 73.04 110.187 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.4 -13.47 32.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 73.11 110.619 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 58.63 42.48 20.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.043 0.449 . . . . 71.4 110.193 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -143.7 -173.28 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.868 -0.606 . . . . 73.2 110.383 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 1.9 tt0 -103.15 115.76 31.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.4 -0.364 . . . . 65.42 110.712 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.05 171.61 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 54.41 111.34 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.63 -177.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.632 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.03 -176.65 14.5 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.759 . . . . 53.22 112.496 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.28 155.88 17.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 62.42 111.063 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.93 -26.85 28.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 63.02 111.546 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -150.26 143.95 25.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.39 . . . . 75.5 111.346 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 38.6 tt0 -60.43 120.69 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 75.54 110.672 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.0 -43.83 14.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 71.53 111.147 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.66 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -88.49 165.16 29.51 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.44 -0.345 . . . . 71.5 110.09 179.551 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.66 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.8 Cg_endo -92.03 -172.88 0.44 Allowed 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.847 2.364 . . . . 65.33 113.11 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.29 -142.97 0.61 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.163 -0.926 . . . . 62.31 114.452 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 1.4 tt0 -81.16 -34.38 32.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.21 -0.495 . . . . 61.3 111.71 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.997 HD12 HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -54.1 -50.72 66.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.994 0.426 . . . . 70.03 110.068 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.69 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -57.41 -34.46 68.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.528 -0.844 . . . . 70.33 111.911 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 6.0 mtpm? -62.08 -56.48 18.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.726 0.298 . . . . 74.43 110.698 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 11.7 ptp180 -57.53 -40.01 77.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.414 . . . . 74.43 111.265 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.997 HD11 HD12 ' A' ' 27' ' ' LEU . 7.7 mt -64.31 -61.13 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.438 0.637 . . . . 73.55 109.957 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -18.25 10.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.211 -0.904 . . . . 75.01 110.783 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -99.59 -53.91 3.07 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.056 0.761 . . . . 73.34 113.056 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.9 mm-40 -94.33 -19.51 20.59 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.449 0.537 . . . . 71.44 112.449 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.56 HD13 HG22 ' A' ' 9' ' ' THR . 16.7 mm -103.23 97.19 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.845 0.355 . . . . 72.42 110.594 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.7 p -57.93 174.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.99 -0.55 . . . . 70.31 111.006 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -62.85 -35.38 79.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 71.22 110.882 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -41.42 89.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 72.33 111.261 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.96 -37.25 78.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.367 . . . . 63.44 111.013 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.633 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 24.5 t-105 -65.02 -41.34 95.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.038 -0.528 . . . . 72.4 110.749 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.88 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 53.14 111.044 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -83.4 -27.11 29.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.591 . . . . 75.14 110.607 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.666 ' CB ' HD11 ' A' ' 75' ' ' LEU . 17.7 t-105 -84.16 -46.92 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 55.12 110.578 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 10.6 mm-40 -47.64 -42.02 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.99 0.424 . . . . 74.45 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -66.58 -50.11 64.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.984 -0.553 . . . . 61.45 110.325 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 5.3 tptt -69.97 -19.57 63.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.269 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.778 ' CG ' HD21 ' A' ' 67' ' ' LEU . 2.7 tt0 -78.07 -59.93 2.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.416 . . . . 75.45 111.209 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 t -47.93 -30.11 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 74.14 112.064 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.5 -35.77 53.27 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 121.07 -0.252 . . . . 74.2 111.234 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 81.4 mt -65.97 -42.3 90.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 72.5 110.212 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.862 HG23 ' HB2' ' A' ' 56' ' ' LEU . 37.6 mt -62.39 -42.53 95.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.234 -0.439 . . . . 73.01 110.638 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -74.89 -36.83 62.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 75.53 111.005 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.54 -54.3 6.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 72.53 111.208 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.63 -9.93 59.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 71.11 110.808 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt 63.18 64.46 0.84 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.275 -0.42 . . . . 74.11 111.289 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.054 HD21 HD22 ' A' ' 66' ' ' LEU . 67.0 mt -88.77 -170.26 2.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.39 . . . . 75.54 110.154 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.09 97.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 70.12 110.967 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.655 ' CE ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.48 -19.93 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 34.55 111.451 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -86.03 13.68 7.3 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.574 0.226 . . . . 74.53 111.41 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.32 125.65 17.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.711 0.291 . . . . 73.54 110.585 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.31 -35.55 72.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 75.0 111.305 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -44.78 65.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.231 -0.44 . . . . 72.21 111.163 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -85.08 -39.26 18.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.21 -0.45 . . . . 60.41 110.817 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -48.8 -46.17 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.924 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -65.05 -30.81 71.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 61.24 110.616 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.054 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -54.49 -43.1 71.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.298 -0.41 . . . . 65.44 110.494 179.573 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.778 HD21 ' CG ' ' A' ' 47' ' ' GLN . 1.7 tp -59.5 -43.91 93.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 63.34 109.912 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 3.7 tm-20 -59.55 -20.73 57.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.887 -0.597 . . . . 75.24 110.324 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -80.56 -54.99 5.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.995 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.52 -45.96 84.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 62.35 111.396 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.535 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -45.05 -48.37 11.79 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.899 0.333 . . . . 72.11 111.899 -179.228 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.746 HG13 ' HB2' ' A' ' 76' ' ' PHE . 99.2 t -50.99 -57.98 2.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.955 0.407 . . . . 73.42 110.411 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -21.88 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.854 -0.612 . . . . 64.34 110.963 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.416 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 7.5 t80 -95.0 -52.72 4.1 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.242 0.46 . . . . 74.22 112.242 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 ' CB ' ' A' ' 43' ' ' TRP . 1.5 mt -101.17 -48.61 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.708 0.633 . . . . 74.13 112.708 -178.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.746 ' HB2' HG13 ' A' ' 72' ' ' VAL . 63.3 m-85 -92.04 27.04 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.252 0.464 . . . . 73.34 112.252 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.5 tt0 -68.18 58.59 0.08 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 120.985 0.422 . . . . 71.23 110.435 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.603 0 C-N-CA 120.822 -0.704 . . . . 72.21 112.779 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 75.42 110.58 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.6 pt -80.48 -175.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 72.21 111.025 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 31.0 t80 -118.72 97.03 5.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.654 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 17.3 t -59.07 144.16 46.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 65.22 110.27 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.592 HG22 HD13 ' A' ' 35' ' ' ILE . 14.5 t -97.58 -21.44 17.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.061 0.457 . . . . 73.23 110.641 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -74.24 -45.42 48.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.974 -0.557 . . . . 73.04 109.805 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.22 -16.61 32.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.841 -0.618 . . . . 73.11 110.63 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 61.77 40.56 12.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 71.4 110.164 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.31 -172.03 3.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 73.2 110.434 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 12.1 tt0 -103.64 116.13 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 65.42 110.627 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.38 167.27 22.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 54.41 111.247 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -66.46 165.37 14.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.741 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.25 -168.84 12.82 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.706 -0.759 . . . . 53.22 112.447 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.79 176.96 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 62.42 110.921 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.7 -26.88 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 63.02 111.328 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -123.52 130.91 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 75.5 111.145 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 49.9 tt0 -61.22 118.67 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.54 110.448 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.1 mt -80.82 -44.09 19.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 71.53 111.771 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.618 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.29 169.5 12.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 71.5 110.487 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 17.5 Cg_endo -92.3 -172.78 0.42 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.043 2.495 . . . . 65.33 113.053 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.17 -142.78 0.2 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.257 -0.883 . . . . 62.31 114.51 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -81.35 -36.47 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.352 -0.424 . . . . 61.3 111.265 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.795 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -49.71 -52.52 30.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.404 . . . . 70.03 110.401 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.729 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -59.0 -34.25 78.07 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.505 -0.855 . . . . 70.33 112.073 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -54.87 35.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.605 0.24 . . . . 74.43 110.792 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.72 -39.33 80.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.561 -0.29 . . . . 74.43 111.254 -179.816 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.795 HD11 HD12 ' A' ' 27' ' ' LEU . 11.0 mt -63.87 -61.52 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 CA-C-O 121.457 0.646 . . . . 73.55 109.923 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -55.7 -18.19 7.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.965 -1.016 . . . . 75.01 110.172 179.049 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -98.31 -53.43 3.35 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.28 0.844 . . . . 73.34 113.28 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 1.2 mt-10 -94.47 -17.82 22.08 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.057 0.762 . . . . 71.44 113.057 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.592 HD13 HG22 ' A' ' 9' ' ' THR . 19.3 mm -104.4 125.55 59.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.379 . . . . 72.42 110.749 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 p -82.22 179.41 7.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 70.31 111.055 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -68.15 -30.97 70.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.887 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.21 -41.02 77.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 72.33 110.974 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.54 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -74.06 -38.29 63.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 63.44 111.192 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.743 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 61.0 t-105 -63.29 -39.0 93.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 72.4 110.873 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.58 -25.02 67.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 53.14 110.898 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -78.88 -37.31 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.068 -0.515 . . . . 75.14 110.576 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.543 ' CZ2' HD22 ' A' ' 67' ' ' LEU . 24.6 t-105 -69.66 -49.08 57.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 55.12 110.366 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.52 -40.69 5.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.083 0.468 . . . . 74.45 110.656 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -69.38 -49.41 55.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 61.45 110.33 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 2.1 tptm -70.64 -19.48 62.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 74.13 110.774 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' TRP . 2.5 tt0 -75.23 -56.81 4.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.435 . . . . 75.45 111.122 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -56.14 -32.55 64.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 74.14 111.941 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -76.68 -33.11 58.27 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.026 -0.269 . . . . 74.2 110.738 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 36.7 mt -60.84 -54.17 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.939 -0.393 . . . . 72.5 109.939 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.097 HD11 HD11 ' A' ' 67' ' ' LEU . 2.8 mt -56.31 -33.05 36.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 73.01 110.654 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -65.96 -54.66 23.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.052 -0.522 . . . . 75.53 111.092 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.12 -54.35 6.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 72.53 111.513 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -64.42 -14.75 58.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.562 -0.29 . . . . 71.11 111.14 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 63.98 62.13 0.9 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.039 0.447 . . . . 74.11 110.516 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 51' ' ' ILE . 67.7 mt -95.42 -173.47 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.876 -0.602 . . . . 75.54 110.528 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -160.34 101.28 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 70.12 110.954 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.58 ' HE1' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -63.12 -12.44 27.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 34.55 111.377 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -30.04 40.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 74.53 110.519 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -96.05 146.45 24.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 73.54 110.758 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.77 -34.88 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 75.0 111.416 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -54.09 -42.25 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 72.21 111.181 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -85.68 -38.65 18.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 60.41 111.016 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -48.45 -49.35 35.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 71.4 110.926 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -25.03 64.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 61.24 110.703 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -42.34 88.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.796 0.331 . . . . 65.44 110.275 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.097 HD11 HD11 ' A' ' 51' ' ' ILE . 5.6 mt -58.52 -35.27 72.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 63.34 110.058 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' HA ' ' SD ' ' A' ' 71' ' ' MET . 58.7 mt-10 -58.74 -20.37 48.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 75.24 110.246 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -81.01 -51.04 8.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.88 -0.6 . . . . 75.11 111.607 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.05 -48.1 72.17 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.102 0.408 . . . . 62.35 112.102 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.491 ' SD ' ' HA ' ' A' ' 68' ' ' GLU . 4.3 ptm -46.05 -30.7 1.96 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.588 0.233 . . . . 72.11 111.507 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.873 HG13 ' HB2' ' A' ' 76' ' ' PHE . 99.0 t -65.55 -58.74 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 73.42 110.238 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -50.33 -20.28 1.04 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 64.34 111.289 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -95.4 -50.49 4.98 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.37 -0.377 . . . . 74.22 111.879 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -103.08 -45.46 4.93 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.219 0.452 . . . . 74.13 112.219 -178.633 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.873 ' HB2' HG13 ' A' ' 72' ' ' VAL . 37.4 m-85 -96.69 28.32 3.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.94 0.348 . . . . 73.34 111.94 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -68.1 60.76 0.08 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.86 -0.609 . . . . 71.23 110.842 -179.444 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.563 0 CA-C-N 115.537 -0.756 . . . . 72.21 111.985 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.739 HG22 ' HG2' ' A' ' 14' ' ' GLU . 6.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.826 0.346 . . . . 75.42 110.727 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 22.7 pt -83.56 -177.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 72.21 111.341 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 13.1 t80 -121.11 96.44 5.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 72.41 110.483 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 32.9 t -59.0 148.65 29.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.94 -0.573 . . . . 65.22 110.818 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.556 HG22 HD13 ' A' ' 35' ' ' ILE . 14.9 t -100.03 -21.65 15.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 73.23 110.915 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 48.7 t80 -74.27 -46.54 40.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.224 -0.444 . . . . 73.04 109.911 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 38' ' ' GLU . 2.0 mt -92.8 -13.48 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 73.11 110.686 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 58.62 41.92 21.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.012 0.434 . . . . 71.4 110.552 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -140.89 -179.8 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.975 -0.557 . . . . 73.2 110.129 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.739 ' HG2' HG22 ' A' ' 5' ' ' THR . 5.6 tt0 -99.57 110.48 22.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.74 0.305 . . . . 65.42 110.844 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.627 ' HB3' ' OG ' ' A' ' 36' ' ' SER . . . -109.94 177.63 4.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 54.41 111.297 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -33.66 72.38 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.23 0.538 . . . . 72.43 110.569 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.63 161.08 36.31 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.298 -0.864 . . . . 53.22 112.676 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -73.47 174.73 7.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.789 0.328 . . . . 62.42 110.814 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.04 -28.35 8.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 63.02 111.176 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' ' 22' ' ' LEU . 21.7 p90 -146.82 148.45 31.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.363 -0.38 . . . . 75.5 111.189 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.91 119.57 9.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 75.54 110.827 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD12 ' NE1' ' A' ' 40' ' ' TRP . 27.7 mt -87.32 -40.58 14.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 71.53 111.056 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.635 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -88.31 165.06 30.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.876 -0.416 . . . . 71.5 109.876 179.224 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.497 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 19.3 Cg_endo -90.46 -170.51 0.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.702 2.268 . . . . 65.33 112.562 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 39.31 -144.08 0.34 Allowed Glycine 0 N--CA 1.454 -0.162 0 CA-C-N 115.558 -0.746 . . . . 62.31 114.473 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -33.94 32.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.337 -0.432 . . . . 61.3 111.363 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.763 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -53.63 -49.68 67.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.353 -0.385 . . . . 70.03 110.738 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.712 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -60.32 -31.78 74.9 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.294 -0.955 . . . . 70.33 111.694 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -51.34 67.71 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.12 -0.232 . . . . 74.43 110.748 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -65.04 -41.49 95.15 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.58 -0.282 . . . . 74.43 111.624 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.763 HD11 HD12 ' A' ' 27' ' ' LEU . 9.1 mt -59.62 -62.98 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.498 0.666 . . . . 73.55 109.791 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.36 -18.39 2.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.106 -0.952 . . . . 75.01 110.3 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -94.56 -55.11 3.26 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.852 0.686 . . . . 73.34 112.852 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.1 mm-40 -96.8 -17.87 19.95 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.179 0.807 . . . . 71.44 113.179 -177.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.556 HD13 HG22 ' A' ' 9' ' ' THR . 14.8 mm -103.89 96.3 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.935 0.398 . . . . 72.42 111.022 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.627 ' OG ' ' HB3' ' A' ' 15' ' ' ALA . 69.1 m -59.55 169.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 70.31 111.0 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -60.47 -34.76 74.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.064 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -61.64 -48.49 80.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.051 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.71 -36.51 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.97 0.414 . . . . 63.44 110.682 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.616 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 50.3 t-105 -61.96 -39.77 93.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 72.4 110.603 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.69 67.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 53.14 110.982 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -82.36 -30.72 30.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.14 109.967 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 13.1 t-105 -73.35 -49.01 29.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.998 -0.546 . . . . 55.12 109.845 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -49.49 -36.29 22.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.944 -0.571 . . . . 74.45 110.559 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -68.01 -40.1 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.775 -0.648 . . . . 61.45 110.5 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 49' ' ' MET . 11.4 tptt -83.21 -19.83 35.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 74.13 110.708 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' TRP . 1.7 tt0 -75.3 -51.93 12.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 75.45 110.831 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 t -56.49 -33.32 65.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.996 -0.547 . . . . 74.14 111.942 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.451 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -81.19 -37.9 27.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.684 0.278 . . . . 74.2 111.325 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.514 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 26.6 mt -60.1 -35.07 74.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.941 0.401 . . . . 72.5 110.503 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.93 HG21 ' HE1' ' A' ' 58' ' ' MET . 67.2 mt -74.25 -47.77 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 73.01 110.95 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -69.4 -29.27 66.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.093 -0.503 . . . . 75.53 111.232 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -84.14 -54.02 5.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.485 -0.325 . . . . 72.53 111.082 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.63 -6.6 54.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.51 -0.314 . . . . 71.11 110.771 179.657 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.12 59.18 1.69 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.353 -0.385 . . . . 74.11 111.091 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.871 ' HB2' HG23 ' A' ' 51' ' ' ILE . 28.1 mt -82.53 -171.99 3.79 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.347 -0.388 . . . . 75.54 110.415 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -156.53 98.74 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.798 0.332 . . . . 70.12 110.793 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.93 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.8 -14.89 50.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 34.55 111.861 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -24.43 42.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 74.53 110.522 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -105.62 128.38 53.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.52 . . . . 73.54 110.641 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.36 -27.95 67.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 75.0 111.284 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -55.35 -44.65 76.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 72.21 110.74 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -85.4 -34.92 21.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 60.41 110.514 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -52.54 -49.21 65.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 71.4 110.253 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -30.62 71.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.857 -0.61 . . . . 61.24 110.508 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -62.05 -44.76 95.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.403 179.639 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.896 HD11 HD11 ' A' ' 51' ' ' ILE . 2.2 mt -57.51 -41.31 80.54 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.99 0.424 . . . . 63.34 110.123 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.459 ' CG ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -54.98 -22.16 14.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 75.24 110.357 179.233 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 66' ' ' LEU . 42.1 tp60 -79.92 -49.58 11.69 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.069 -0.514 . . . . 75.11 111.089 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.1 -41.36 98.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.52 . . . . 62.35 111.619 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.42 ' SD ' ' CE2' ' A' ' 23' ' ' TYR . 5.7 ptm -55.29 -32.19 62.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.562 0.22 . . . . 72.11 111.065 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.824 HG13 ' HB2' ' A' ' 76' ' ' PHE . 58.4 t -66.19 -62.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.977 0.418 . . . . 73.42 110.494 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.461 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 19.4 t-20 -50.98 -18.98 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 64.34 111.162 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.43 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 14.9 t80 -95.27 -51.52 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.536 -0.302 . . . . 74.22 111.399 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -103.34 -45.6 4.83 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.859 0.688 . . . . 74.13 112.859 -178.695 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.824 ' HB2' HG13 ' A' ' 72' ' ' VAL . 34.8 m-85 -95.89 28.3 3.17 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.051 0.389 . . . . 73.34 112.051 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -68.78 57.92 0.09 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.101 -0.5 . . . . 71.23 111.226 -179.369 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.538 0 C-N-CA 120.583 -0.818 . . . . 72.21 112.769 179.771 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.465 HG22 ' HG2' ' A' ' 14' ' ' GLU . 2.0 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.789 0.328 . . . . 75.42 110.612 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 pt -85.65 -176.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 72.21 111.462 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 7.3 t80 -123.48 99.99 6.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.685 -0.689 . . . . 72.41 109.657 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.0 t -60.56 147.89 39.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.373 -0.376 . . . . 65.22 110.979 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.504 HG22 HD13 ' A' ' 35' ' ' ILE . 14.7 t -97.0 -26.22 15.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.674 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -74.43 -40.67 61.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.144 0.497 . . . . 73.04 109.778 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 38' ' ' GLU . 7.1 mt -93.16 -18.9 22.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.587 -0.733 . . . . 73.11 110.516 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 59.2 41.93 19.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.349 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.48 -175.74 4.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.81 -0.632 . . . . 73.2 110.119 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 5' ' ' THR . 8.3 tt0 -105.04 115.26 29.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 65.42 110.909 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.64 -177.6 3.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.474 . . . . 54.41 111.169 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.99 -15.91 57.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 72.43 111.471 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.66 172.5 1.21 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.795 -0.716 . . . . 53.22 112.764 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -76.51 -178.59 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 62.42 110.859 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.31 -25.41 5.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 63.02 111.58 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 2.3 p90 -143.6 146.44 33.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.354 . . . . 75.5 111.085 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -72.13 125.25 26.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 75.54 111.118 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 20' ' ' PHE . 1.3 mt -102.38 -36.87 8.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 71.53 111.032 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.757 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -85.99 169.32 15.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 71.5 110.764 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.757 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 4.2 Cg_endo -44.61 -173.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.764 2.976 . . . . 65.33 113.779 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.62 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.518 0.262 0 N-CA-C 115.609 1.004 . . . . 62.31 115.609 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.81 -55.59 33.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.004 0.742 . . . . 61.3 113.004 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.781 HD13 ' CE ' ' A' ' 71' ' ' MET . 4.5 mt -61.03 -55.7 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.582 -0.447 . . . . 70.03 111.346 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.717 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -53.92 -23.32 22.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.988 -1.101 . . . . 70.33 112.632 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -52.79 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.615 0.245 . . . . 74.43 110.586 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.72 ' HE ' HD23 ' A' ' 27' ' ' LEU . 5.1 ptp180 -61.04 -36.89 80.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.492 -0.322 . . . . 74.43 110.971 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.717 HD12 ' HA2' ' A' ' 28' ' ' GLY . 4.4 mt -68.39 -47.61 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-O 121.486 0.66 . . . . 73.55 109.764 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.512 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -69.11 -18.65 64.0 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.217 -0.901 . . . . 75.01 110.38 179.181 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -100.79 -48.08 4.6 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.125 0.787 . . . . 73.34 113.125 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 39.3 mm-40 -97.76 -20.04 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.991 0.737 . . . . 71.44 112.991 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.604 HG23 ' HB3' ' A' ' 39' ' ' ALA . 16.9 mm -106.59 128.29 61.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.091 0.472 . . . . 72.42 111.131 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.7 p -87.6 179.66 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 70.31 110.375 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -68.3 -28.82 67.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.865 0.364 . . . . 71.22 110.82 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' A' ' 11' ' ' LEU . 2.3 tt0 -63.82 -46.67 84.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.204 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.604 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -73.17 -41.12 64.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.412 -0.358 . . . . 63.44 111.208 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.708 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 67.0 t-105 -60.77 -32.92 72.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.4 . . . . 72.4 110.699 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.48 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 53.14 110.752 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -73.52 -37.6 65.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.131 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' O ' ' N ' ' A' ' 47' ' ' GLN . 21.6 t-105 -67.83 -49.06 64.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.772 -0.649 . . . . 55.12 110.525 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.69 -44.83 38.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 74.45 111.29 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -66.53 -38.68 87.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.959 0.409 . . . . 61.45 110.433 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 49' ' ' MET . 1.6 tppt? -80.98 -19.3 44.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.01 -0.541 . . . . 74.13 110.654 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' TRP . 23.0 tt0 -74.73 -50.0 19.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.307 -0.406 . . . . 75.45 111.124 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -55.28 -36.94 66.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 74.14 111.928 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.553 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -73.83 -33.15 64.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.615 0.245 . . . . 74.2 111.294 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 83.8 mt -63.95 -41.56 97.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.971 0.415 . . . . 72.5 110.462 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.893 HD11 HD11 ' A' ' 67' ' ' LEU . 73.8 mt -65.6 -42.68 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.076 -0.511 . . . . 73.01 111.075 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -74.24 -28.91 61.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.165 -0.471 . . . . 75.53 111.11 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -84.9 -54.38 4.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.305 -0.407 . . . . 72.53 111.002 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -76.93 -7.61 55.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 71.11 110.827 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt 62.94 63.07 0.98 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.976 0.417 . . . . 74.11 110.872 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.82 ' HB2' HG23 ' A' ' 51' ' ' ILE . 40.1 mt -89.39 -172.18 3.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.009 -0.541 . . . . 75.54 110.645 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -158.53 104.8 1.82 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.417 . . . . 70.12 110.774 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.855 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -61.07 -19.18 61.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 34.55 111.39 -179.543 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -21.71 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 74.53 110.707 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -98.25 134.04 41.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.737 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.15 -24.39 63.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 75.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -36.38 80.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 72.21 111.197 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' A' ' 57' ' ' ASN . 50.7 m170 -85.47 -39.87 17.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 60.41 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -46.65 62.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.011 0.434 . . . . 71.4 110.242 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -70.79 -19.28 62.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.806 -0.634 . . . . 61.24 110.701 179.297 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.81 -38.69 53.47 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.626 -0.509 . . . . 65.44 109.626 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.893 HD11 HD11 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -64.23 -51.61 62.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.647 -0.706 . . . . 63.34 109.892 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HB2' ' HE2' ' A' ' 71' ' ' MET . 9.7 pt-20 -54.19 -23.73 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.73 -0.668 . . . . 75.24 110.15 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -47.41 45.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.808 -0.633 . . . . 75.11 110.293 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -63.78 -46.36 85.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.889 -0.596 . . . . 62.35 110.472 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.781 ' CE ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -46.98 -37.03 8.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.763 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 76' ' ' PHE . 89.8 t -58.92 -59.49 3.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.21 0.528 . . . . 73.42 110.262 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 7.5 t30 -52.01 -19.82 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.613 -0.721 . . . . 64.34 111.453 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.471 ' CE1' ' HE2' ' A' ' 46' ' ' LYS . 41.5 t80 -95.17 -48.88 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.572 -0.285 . . . . 74.22 111.745 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -103.53 -45.99 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.651 0.611 . . . . 74.13 112.651 -178.608 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.771 ' HB2' HG13 ' A' ' 72' ' ' VAL . 47.3 m-85 -99.75 28.52 4.67 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 112.504 0.557 . . . . 73.34 112.504 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -66.17 55.45 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.933 -0.576 . . . . 71.23 110.988 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.518 0 C-N-CA 120.261 -0.971 . . . . 72.21 114.052 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' HG2' ' A' ' 14' ' ' GLU . 3.9 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.818 0.342 . . . . 75.42 110.398 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 pt -81.83 -174.77 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.061 0.458 . . . . 72.21 111.391 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -126.28 102.85 7.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.68 -0.691 . . . . 72.41 109.713 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.688 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 22.9 t -63.46 150.99 42.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.442 -0.344 . . . . 65.22 111.167 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.485 HG22 HD13 ' A' ' 35' ' ' ILE . 15.3 t -100.77 -25.27 14.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.355 -0.384 . . . . 73.23 110.684 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 74' ' ' PHE . 40.7 t80 -74.08 -46.16 44.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 73.04 109.897 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.19 -19.17 24.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.771 -0.65 . . . . 73.11 110.443 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 61.82 40.91 12.29 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.129 -0.487 . . . . 71.4 110.362 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -137.36 -172.79 3.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.916 -0.584 . . . . 73.2 110.606 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.631 ' HG2' HG22 ' A' ' 5' ' ' THR . 6.6 tt0 -107.86 118.15 35.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 65.42 110.486 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.67 169.88 11.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 54.41 111.474 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -12.64 61.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.94 -0.573 . . . . 72.43 111.43 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.33 161.71 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 53.22 112.505 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -76.19 -178.58 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 62.42 110.867 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -117.59 -25.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 63.02 111.416 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -137.13 141.14 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.442 -0.345 . . . . 75.5 111.128 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 32' ' ' TYR . 19.6 tt0 -58.96 111.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 75.54 110.763 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.41 -40.88 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 71.53 111.02 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.758 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -96.32 167.41 12.4 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 71.5 110.205 179.587 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.758 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 20.8 Cg_endo -91.5 -169.96 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.944 2.43 . . . . 65.33 112.694 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.41 -143.0 0.21 Allowed Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.409 -0.814 . . . . 62.31 114.723 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -44.72 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.199 -0.5 . . . . 61.3 111.882 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.731 HD23 ' HD2' ' A' ' 30' ' ' ARG . 2.7 mt -49.21 -46.35 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 70.03 110.384 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.687 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -60.02 -34.48 83.71 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.62 -0.8 . . . . 70.33 111.875 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -55.36 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.882 0.372 . . . . 74.43 110.213 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.731 ' HD2' HD23 ' A' ' 27' ' ' LEU . 2.2 ptp180 -57.27 -42.3 81.35 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.86 -0.609 . . . . 74.43 111.573 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.687 HD12 ' HA2' ' A' ' 28' ' ' GLY . 5.8 mt -62.63 -58.19 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 121.436 0.636 . . . . 73.55 109.588 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.457 ' HB2' ' HA ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -60.1 -18.28 45.96 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.073 -0.967 . . . . 75.01 110.566 178.844 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -97.4 -56.24 2.59 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.777 0.658 . . . . 73.34 112.777 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.688 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.1 mm-40 -94.51 -20.84 19.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.533 0.568 . . . . 71.44 112.533 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 9' ' ' THR . 20.5 mm -102.28 135.56 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.885 0.374 . . . . 72.42 110.756 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -100.95 175.5 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 70.31 111.183 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -59.22 -40.85 87.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 71.22 110.768 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.25 -44.89 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 72.33 110.731 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -70.98 -37.41 72.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 63.44 111.014 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 34.7 t-105 -64.63 -37.05 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 72.4 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.65 -19.59 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 53.14 110.923 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.33 -27.72 29.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.337 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' A' ' 75' ' ' LEU . 24.4 t-105 -81.87 -52.19 7.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.133 -0.485 . . . . 55.12 109.995 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.6 -42.64 34.58 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.065 -0.516 . . . . 74.45 110.756 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -65.28 -29.59 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 61.45 110.143 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 49' ' ' MET . 5.8 tptm -86.44 -21.21 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 74.13 110.536 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.592 ' HG3' HD21 ' A' ' 67' ' ' LEU . 16.8 tt0 -68.7 -47.33 66.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 75.45 110.406 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.8 t -57.74 -44.75 86.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 74.14 111.665 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 3.9 ptp -72.09 -42.22 66.39 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 111.733 0.271 . . . . 74.2 111.733 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 59.5 mt -57.9 -44.54 86.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 72.5 110.614 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.761 HG21 ' HE1' ' A' ' 58' ' ' MET . 90.1 mt -66.47 -38.94 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.114 -0.494 . . . . 73.01 110.964 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -76.54 -30.9 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 75.53 111.297 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -85.57 -54.29 4.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.605 -0.271 . . . . 72.53 110.903 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.95 -8.85 57.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.472 -0.331 . . . . 71.11 110.6 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 62.77 63.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.409 . . . . 74.11 110.838 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.642 ' HB2' HG23 ' A' ' 51' ' ' ILE . 72.9 mt -91.29 -174.93 4.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 75.54 110.429 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -152.28 106.16 3.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.402 . . . . 70.12 110.984 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.761 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.11 -20.96 28.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 34.55 111.22 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -21.13 35.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.535 -0.302 . . . . 74.53 110.812 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -96.38 130.1 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 73.54 110.801 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.25 95.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 75.0 111.37 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -36.51 66.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 72.21 110.991 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 27.0 m170 -85.3 -36.73 20.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.035 -0.529 . . . . 60.41 110.729 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.562 ' HA ' HH11 ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.26 -45.51 83.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.021 0.439 . . . . 71.4 110.098 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -73.72 -17.81 61.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.795 -0.639 . . . . 61.24 110.474 179.275 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.482 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -72.6 -39.47 67.29 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.458 -0.571 . . . . 65.44 109.458 178.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD21 ' HG3' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -64.33 -52.06 60.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 63.34 109.813 179.118 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.63 ' HB2' HD13 ' A' ' 27' ' ' LEU . 7.2 pt-20 -55.92 -24.36 37.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.764 -0.653 . . . . 75.24 110.093 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -70.59 -43.83 68.59 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.76 -0.655 . . . . 75.11 110.539 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.91 -39.07 66.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.028 -0.533 . . . . 62.35 110.654 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.617 ' HE1' ' HB2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -50.46 -37.11 36.66 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.336 -0.393 . . . . 72.11 110.885 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.803 HG13 ' HB2' ' A' ' 76' ' ' PHE . 84.2 t -61.35 -60.84 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 CA-C-O 121.036 0.446 . . . . 73.42 110.167 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 2.0 t-20 -50.41 -19.06 0.75 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 64.34 111.003 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CE2' ' CZ ' ' A' ' 10' ' ' PHE . 24.4 t80 -95.02 -50.43 5.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 74.22 111.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.24 -48.57 3.97 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.392 0.516 . . . . 74.13 112.392 -178.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.803 ' HB2' HG13 ' A' ' 72' ' ' VAL . 41.3 m-85 -93.91 28.66 2.33 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.941 0.4 . . . . 73.34 112.068 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 20.7 tt0 -66.94 60.25 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.729 -0.668 . . . . 71.23 110.804 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.567 0 C-N-CA 120.66 -0.781 . . . . 72.21 112.772 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.647 HG22 ' HG2' ' A' ' 14' ' ' GLU . 16.2 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.687 0.279 . . . . 75.42 110.733 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.1 pt -84.3 -176.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 72.21 111.192 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -121.74 98.96 6.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 72.41 109.991 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.7 t -60.82 148.4 39.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 65.22 110.842 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.573 HG22 ' CD1' ' A' ' 35' ' ' ILE . 14.6 t -98.04 -25.15 15.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 73.23 110.765 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -74.26 -43.99 54.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.034 0.445 . . . . 73.04 109.827 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 mt -89.67 -21.52 22.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.756 -0.656 . . . . 73.11 110.423 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 62.84 40.66 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 71.4 110.364 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.83 -177.28 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.893 -0.594 . . . . 73.2 110.175 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.647 ' HG2' HG22 ' A' ' 5' ' ' THR . 3.8 tt0 -100.37 110.48 22.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.812 0.339 . . . . 65.42 110.665 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.82 170.87 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 54.41 111.509 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -63.59 -27.55 69.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.026 -0.534 . . . . 72.43 111.163 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.94 161.22 6.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.899 -0.667 . . . . 53.22 112.674 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.895 ' OE1' HD13 ' A' ' 22' ' ' LEU . 76.6 mt-30 -64.54 -179.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 62.42 110.994 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.39 -28.04 6.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 63.02 110.804 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -146.33 153.05 40.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 75.5 110.747 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 48.2 tt0 -62.27 124.33 20.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 75.54 111.044 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.895 HD13 ' OE1' ' A' ' 18' ' ' GLN . 10.6 mp -92.45 -41.11 10.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.53 111.022 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.648 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -93.04 167.75 13.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 71.5 110.04 179.473 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.545 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.9 Cg_endo -90.93 -172.06 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.69 2.26 . . . . 65.33 112.798 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.47 -142.92 0.96 Allowed Glycine 0 N--CA 1.453 -0.229 0 CA-C-N 115.433 -0.803 . . . . 62.31 114.374 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.28 -35.63 30.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.245 -0.478 . . . . 61.3 111.38 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.847 HD12 HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -53.88 -49.45 68.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.038 -0.528 . . . . 70.03 110.858 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.781 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -61.54 -32.51 81.52 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.13 -1.033 . . . . 70.33 111.657 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 42.9 mttt -66.11 -43.38 87.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.686 0.279 . . . . 74.43 110.323 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.732 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.7 ptp180 -69.9 -39.81 76.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.42 -0.355 . . . . 74.43 111.161 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.847 HD11 HD12 ' A' ' 27' ' ' LEU . 6.6 mt -62.82 -52.92 53.54 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 121.592 0.71 . . . . 73.55 109.761 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -17.99 58.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.848 -1.069 . . . . 75.01 110.218 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 1.6 m-80 -97.19 -50.72 4.47 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.554 0.576 . . . . 73.34 112.554 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.1 mm-40 -98.94 -15.42 19.14 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.987 0.736 . . . . 71.44 112.987 -177.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.573 ' CD1' HG22 ' A' ' 9' ' ' THR . 19.4 mm -112.11 106.58 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.844 0.354 . . . . 72.42 111.373 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 t -68.54 176.82 2.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 70.31 110.71 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -66.15 -29.3 69.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 71.22 111.077 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -44.37 76.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 72.33 111.116 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.58 -35.01 67.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.43 -0.35 . . . . 63.44 111.15 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.641 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.5 t-105 -63.45 -33.88 76.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.35 -0.386 . . . . 72.4 110.754 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.4 -27.12 68.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 53.14 110.798 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -78.46 -33.85 48.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.114 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.787 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 31.4 t-105 -75.66 -51.93 11.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 55.12 110.244 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -48.91 -36.7 17.84 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.13 0.49 . . . . 74.45 110.249 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.25 -29.69 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.672 -0.695 . . . . 61.45 110.336 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -85.56 -25.91 26.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.236 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' HA ' HD11 ' A' ' 67' ' ' LEU . 4.7 tt0 -68.53 -48.15 65.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.0 -0.545 . . . . 75.45 110.406 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 t -54.01 -45.44 71.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 74.14 111.286 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.3 ptp -72.09 -41.96 66.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.67 0.271 . . . . 74.2 110.748 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 27.2 mt -57.59 -30.15 65.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.358 . . . . 72.5 110.368 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.721 HG21 ' HE1' ' A' ' 58' ' ' MET . 96.2 mt -84.85 -39.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 73.01 111.148 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -73.66 -31.84 63.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.499 . . . . 75.53 111.46 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.01 -54.35 4.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.594 -0.276 . . . . 72.53 111.407 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.15 -8.74 55.56 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.725 0.297 . . . . 71.11 110.932 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt 67.72 58.81 0.49 Allowed 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.863 0.363 . . . . 74.11 110.938 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.667 ' HB2' HG23 ' A' ' 51' ' ' ILE . 77.2 mt -96.45 -172.31 2.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 75.54 110.367 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -156.48 122.18 4.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.866 0.365 . . . . 70.12 110.634 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.721 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -70.32 -13.17 62.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 34.55 111.461 -179.759 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -26.68 24.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 74.53 110.435 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -90.27 112.45 24.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 73.54 110.685 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.25 -29.26 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 75.0 111.325 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.67 -37.17 86.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 72.21 110.846 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -85.22 -34.56 21.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 60.41 110.798 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -53.21 -45.89 68.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.838 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -28.06 66.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 61.24 110.849 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.535 HD22 HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -54.56 -46.73 73.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.743 0.306 . . . . 65.44 110.226 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.787 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 3.7 mm? -58.5 -47.46 84.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.38 -0.6 . . . . 63.34 109.38 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.685 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 2.5 tt0 -52.08 -23.51 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.304 -0.862 . . . . 75.24 110.211 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -81.21 -50.42 9.6 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.619 -0.718 . . . . 75.11 111.33 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.86 -30.85 62.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.822 0.344 . . . . 62.35 110.84 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -51.17 -50.31 59.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.264 -0.426 . . . . 72.11 111.117 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.797 HG13 ' HB2' ' A' ' 76' ' ' PHE . 65.0 t -50.97 -57.99 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 73.42 110.312 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -51.96 -21.29 2.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 64.34 111.107 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -94.83 -51.27 4.76 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.996 0.369 . . . . 74.22 111.996 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.684 HD11 ' CB ' ' A' ' 43' ' ' TRP . 1.5 mt -103.13 -46.27 4.68 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.425 0.528 . . . . 74.13 112.425 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.797 ' HB2' HG13 ' A' ' 72' ' ' VAL . 87.2 m-85 -95.49 28.18 3.06 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.48 0.548 . . . . 73.34 112.48 -178.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' VAL . 14.6 tt0 -68.25 58.41 0.08 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.028 0.442 . . . . 71.23 110.413 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.446 -0.679 0 CA-C-N 115.843 -0.617 . . . . 72.21 112.298 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.402 HG22 ' HG2' ' A' ' 14' ' ' GLU . 2.2 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.78 0.324 . . . . 75.42 111.134 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 pt -82.71 -176.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 72.21 111.047 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -121.28 99.55 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.877 -0.601 . . . . 72.41 109.864 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 1.4 p -59.0 142.71 50.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 65.22 110.606 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.553 HG22 HD13 ' A' ' 35' ' ' ILE . 9.2 t -98.28 -24.18 15.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.445 -0.343 . . . . 73.23 111.178 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -74.48 -41.79 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.727 -0.471 . . . . 73.04 109.727 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.88 -11.35 28.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 73.11 110.843 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 56.19 44.5 24.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.984 0.421 . . . . 71.4 110.195 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -142.02 -169.02 2.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 73.2 110.728 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HG2' HG22 ' A' ' 5' ' ' THR . 11.7 tt0 -106.31 116.63 32.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 65.42 110.87 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.88 161.12 22.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.379 . . . . 54.41 111.156 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.25 -16.46 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.27 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.98 176.76 8.23 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.672 -0.775 . . . . 53.22 112.603 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -91.0 169.56 10.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 62.42 110.883 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -102.49 -31.39 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 63.02 111.079 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -134.75 144.77 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 75.5 110.958 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 33.4 tt0 -61.42 133.46 55.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.399 -0.364 . . . . 75.54 110.853 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -95.6 -41.63 8.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 71.53 111.411 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.62 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -95.1 169.21 9.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 71.5 110.404 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.548 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 12.0 Cg_endo -94.58 -168.02 0.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.969 2.446 . . . . 65.33 112.886 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 39.75 -145.14 0.33 Allowed Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.393 -0.821 . . . . 62.31 114.515 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -81.26 -34.55 32.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.148 -0.526 . . . . 61.3 111.396 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.769 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -58.46 -46.94 85.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 70.03 110.375 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.622 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -59.49 -28.63 65.22 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.021 -1.085 . . . . 70.33 111.741 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -70.3 -39.71 74.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.669 0.271 . . . . 74.43 110.778 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.769 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.0 ptm85 -72.56 -38.28 67.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.509 -0.314 . . . . 74.43 111.192 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.622 HD12 ' HA2' ' A' ' 28' ' ' GLY . 5.2 mt -64.07 -52.76 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.477 0.656 . . . . 73.55 109.903 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -18.12 58.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.005 -0.998 . . . . 75.01 110.333 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -99.91 -53.35 3.19 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.962 0.727 . . . . 73.34 112.962 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 13.9 mt-10 -94.48 -20.23 19.86 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.741 0.645 . . . . 71.44 112.741 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.553 HD13 HG22 ' A' ' 9' ' ' THR . 23.6 mm -104.31 126.43 59.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.948 0.404 . . . . 72.42 110.739 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.2 p -91.83 176.97 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.913 -0.585 . . . . 70.31 110.868 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -61.58 -36.02 79.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.905 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -61.25 -45.23 95.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.992 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -71.26 -50.68 30.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 63.44 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.495 ' HZ3' ' HE2' ' A' ' 71' ' ' MET . 51.2 t-105 -53.01 -43.91 66.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.575 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.56 -29.12 61.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 53.14 110.769 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 5.3 mt-30 -77.82 -29.29 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 75.14 110.23 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.525 ' CZ2' HD22 ' A' ' 67' ' ' LEU . 28.8 t-105 -75.66 -47.94 24.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.857 -0.61 . . . . 55.12 110.57 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 9.1 mm100 -46.88 -46.41 21.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.398 . . . . 74.45 110.756 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.502 ' O ' HG22 ' A' ' 48' ' ' THR . 53.9 t60 -61.78 -52.39 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.926 -0.579 . . . . 61.45 110.592 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 10.3 tptp -68.88 -20.48 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.13 111.027 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' TRP . 1.4 tt0 -74.37 -54.49 7.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.893 0.377 . . . . 75.45 111.216 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 45' ' ' HIS . 13.3 t -54.04 -33.18 56.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 74.14 111.957 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -81.07 -40.18 24.56 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.073 -0.251 . . . . 74.2 111.273 -179.55 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 41.5 mt -55.75 -43.35 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 72.5 110.383 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.052 HD11 HD11 ' A' ' 67' ' ' LEU . 18.7 mt -67.33 -38.26 80.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.966 -0.561 . . . . 73.01 110.797 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -73.25 -32.57 64.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.077 -0.51 . . . . 75.53 111.032 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.17 -54.35 4.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.423 -0.353 . . . . 72.53 111.201 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -73.77 -10.44 59.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.722 0.296 . . . . 71.11 111.004 179.656 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? 68.07 60.42 0.42 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.893 0.377 . . . . 74.11 110.854 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.671 ' HB2' HG23 ' A' ' 51' ' ' ILE . 53.0 mt -92.21 178.41 5.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.246 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -155.65 102.68 2.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.983 0.421 . . . . 70.12 110.881 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.711 ' HE1' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -58.74 -18.74 34.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.783 -0.644 . . . . 34.55 111.49 -179.739 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -21.49 44.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 74.53 110.662 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.4 120.23 40.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.292 -0.413 . . . . 73.54 110.579 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.97 -23.94 55.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.498 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.62 -40.34 95.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 72.21 110.995 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.432 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 42.8 m170 -85.52 -35.72 20.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.144 -0.48 . . . . 60.41 110.787 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.2 OUTLIER -50.17 -46.64 54.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 71.4 110.625 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -66.41 -22.49 66.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.845 -0.616 . . . . 61.24 110.771 179.582 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -42.66 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 65.44 109.919 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.052 HD11 HD11 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -60.36 -50.03 75.23 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.017 -0.538 . . . . 63.34 109.812 179.125 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.712 ' HB2' HD13 ' A' ' 27' ' ' LEU . 8.6 pt-20 -55.22 -23.49 22.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.692 -0.685 . . . . 75.24 110.391 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -46.68 31.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.861 -0.609 . . . . 75.11 110.645 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.7 -41.83 87.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.897 -0.592 . . . . 62.35 111.086 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.495 ' HE2' ' HZ3' ' A' ' 40' ' ' TRP . 4.0 ptm -47.32 -35.4 7.96 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.42 -0.354 . . . . 72.11 110.962 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.829 HG13 ' HB2' ' A' ' 76' ' ' PHE . 99.9 t -64.39 -59.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.993 0.425 . . . . 73.42 110.27 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.2 t30 -51.09 -19.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 64.34 111.296 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -95.19 -49.66 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.273 . . . . 74.22 111.567 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -103.57 -43.41 5.38 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.913 0.709 . . . . 74.13 112.913 -178.593 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.829 ' HB2' HG13 ' A' ' 72' ' ' VAL . 74.9 m-85 -101.45 27.83 5.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.859 0.689 . . . . 73.34 112.859 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -68.97 58.54 0.1 Allowed 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 116.442 -0.345 . . . . 71.23 110.858 -179.758 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.541 0 C-N-CA 120.471 -0.871 . . . . 72.21 113.556 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 6' ' ' ILE . 2.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.758 0.313 . . . . 75.42 110.865 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.466 ' H ' HG22 ' A' ' 5' ' ' THR . 9.5 pt -139.62 176.12 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 72.21 110.616 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -110.39 98.89 8.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.266 -0.425 . . . . 72.41 110.091 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 36.2 t -65.42 144.06 57.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 65.22 110.873 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.566 HG22 HD13 ' A' ' 35' ' ' ILE . 14.9 t -97.15 -21.12 17.51 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.725 0.298 . . . . 73.23 111.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -74.29 -46.26 42.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.976 0.417 . . . . 73.04 110.023 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.606 HD12 ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -90.43 -15.02 31.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 73.11 110.692 179.071 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 60.73 42.05 14.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.017 0.437 . . . . 71.4 109.848 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.24 -173.75 4.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.689 . . . . 73.2 110.129 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.17 115.81 31.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 65.42 110.847 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.98 164.07 28.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.06 -0.518 . . . . 54.41 110.923 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.26 158.58 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 72.43 110.756 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.23 167.64 12.77 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.726 -0.75 . . . . 53.22 112.451 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.92 149.62 30.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 62.42 110.809 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.04 -27.45 43.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 63.02 111.445 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -141.33 138.85 33.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 75.5 111.349 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 51.2 tt0 -59.53 121.26 11.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.486 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.727 HD23 ' HE1' ' A' ' 40' ' ' TRP . 5.3 mp -83.11 -41.9 18.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 71.53 111.857 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.628 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.66 169.17 12.39 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.658 0.266 . . . . 71.5 110.451 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 14.4 Cg_endo -92.98 -172.99 0.37 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.893 2.395 . . . . 65.33 112.929 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.3 -144.81 0.13 Allowed Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.196 -0.911 . . . . 62.31 114.595 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.29 -37.16 53.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.22 -0.49 . . . . 61.3 111.395 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.854 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -51.19 -52.95 39.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 70.03 110.805 -179.633 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.661 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -57.72 -33.87 68.92 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.162 -1.018 . . . . 70.33 111.762 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -63.35 -52.83 60.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.52 0.2 . . . . 74.43 110.603 179.272 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.734 ' HD2' HD13 ' A' ' 27' ' ' LEU . 10.6 ptp180 -59.99 -40.83 90.51 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.609 -0.269 . . . . 74.43 110.871 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.854 HD11 HD12 ' A' ' 27' ' ' LEU . 8.0 mt -64.6 -59.66 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.276 0.56 . . . . 73.55 110.154 179.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -54.96 -18.34 4.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.409 -0.814 . . . . 75.01 110.366 178.745 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 28.8 m-20 -100.1 -48.48 4.62 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.152 0.797 . . . . 73.34 113.152 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.619 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 1.2 mm-40 -98.41 -23.5 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.746 0.647 . . . . 71.44 112.746 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.566 HD13 HG22 ' A' ' 9' ' ' THR . 18.9 mm -104.46 98.97 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 72.42 111.022 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.5 p -58.81 173.67 0.41 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.137 -0.483 . . . . 70.31 111.007 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -61.19 -35.51 77.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 71.22 110.677 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.76 -48.66 78.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 72.33 110.817 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -69.3 -31.88 70.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 63.44 110.578 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.727 ' HE1' HD23 ' A' ' 22' ' ' LEU . 52.2 t-105 -69.95 -38.38 76.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.543 . . . . 72.4 110.322 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.9 -28.46 70.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 53.14 110.535 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -74.88 -28.94 60.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 75.14 109.954 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 27.5 t-105 -77.55 -52.05 9.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 55.12 110.581 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.28 -40.72 17.44 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.961 0.41 . . . . 74.45 110.49 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 48' ' ' THR . 37.6 t60 -66.46 -39.4 88.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.824 -0.626 . . . . 61.45 110.061 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -78.28 -20.37 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.989 -0.551 . . . . 74.13 110.393 179.419 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.665 ' CG ' HD21 ' A' ' 67' ' ' LEU . 22.4 tt0 -72.1 -48.29 44.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 75.45 110.276 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 45' ' ' HIS . 5.6 t -55.61 -38.52 69.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.017 -0.538 . . . . 74.14 111.584 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -79.37 -37.1 38.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.81 0.338 . . . . 74.2 110.37 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.597 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 44.9 mt -64.33 -33.37 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 72.5 110.233 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.811 HG23 ' HB2' ' A' ' 56' ' ' LEU . 73.3 mt -80.91 -39.63 17.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 73.01 110.759 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.95 -30.36 61.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 75.53 111.091 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -86.19 -54.32 4.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.588 -0.278 . . . . 72.53 111.532 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -72.34 -8.08 52.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.595 0.236 . . . . 71.11 111.089 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 13.3 mmtp 65.62 61.09 0.69 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.805 0.336 . . . . 74.11 111.404 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.853 HD21 HD22 ' A' ' 66' ' ' LEU . 77.5 mt -93.45 -179.02 4.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.493 -0.321 . . . . 75.54 110.231 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -151.13 105.5 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 70.12 110.986 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.6 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.59 -23.71 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 34.55 111.413 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -20.24 46.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.519 -0.309 . . . . 74.53 111.259 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.53 118.15 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.811 0.339 . . . . 73.54 110.719 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.24 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 75.0 110.879 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -54.29 -39.12 66.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 72.21 111.149 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -85.13 -41.33 15.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 60.41 110.404 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -43.75 61.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.589 . . . . 71.4 110.349 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 62' ' ' GLU . 4.8 pttt -64.29 -31.21 72.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 61.24 110.088 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.853 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -59.6 -46.79 87.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.001 -0.545 . . . . 65.44 110.168 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -58.14 -42.0 84.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 63.34 109.839 179.131 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.499 ' HA ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -63.3 -20.05 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 75.24 109.868 178.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -79.32 -47.51 15.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.935 -0.575 . . . . 75.11 110.718 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -73.08 -38.43 66.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 62.35 111.23 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.499 ' SD ' ' HA ' ' A' ' 68' ' ' GLU . 3.1 ptm -49.09 -39.73 29.17 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.587 -0.279 . . . . 72.11 111.216 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.85 HG13 ' HB2' ' A' ' 76' ' ' PHE . 68.9 t -62.87 -57.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.957 0.408 . . . . 73.42 110.585 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -52.83 -18.63 1.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.549 . . . . 64.34 111.486 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -95.25 -49.55 5.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.697 0.284 . . . . 74.22 111.59 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.68 -44.85 4.97 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.988 0.736 . . . . 74.13 112.988 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.85 ' HB2' HG13 ' A' ' 72' ' ' VAL . 44.7 m-85 -100.1 28.58 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.784 0.661 . . . . 73.34 112.784 -178.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 4.9 tt0 -66.35 60.01 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.081 0.467 . . . . 71.23 111.019 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.449 -0.48 0 CA-C-N 115.765 -0.652 . . . . 72.21 112.216 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 CA--C 1.524 -0.04 0 CA-C-O 120.881 0.372 . . . . 75.42 110.292 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.0 pt -81.2 -175.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 72.21 111.348 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 17.2 t80 -115.46 101.65 9.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 72.41 110.215 179.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 35.9 t -65.1 144.49 57.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.522 -0.308 . . . . 65.22 110.279 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.61 HG22 HD13 ' A' ' 35' ' ' ILE . 14.8 t -99.24 -21.97 15.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.658 0.265 . . . . 73.23 111.064 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -74.69 -44.73 48.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.001 0.429 . . . . 73.04 110.072 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mt -89.39 -13.27 38.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 73.11 110.777 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 60.9 40.68 15.34 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.902 0.382 . . . . 71.4 110.367 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.76 -168.2 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 73.2 110.447 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.7 tt0 -107.8 118.94 38.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 65.42 110.61 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.91 165.39 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.939 0.399 . . . . 54.41 111.33 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.35 171.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 72.43 110.749 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.12 179.99 16.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.587 -0.816 . . . . 53.22 112.517 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.51 142.96 26.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.716 0.293 . . . . 62.42 111.06 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.69 -31.52 65.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 63.02 111.178 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -130.12 140.73 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.5 110.985 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.3 134.67 57.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.82 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mt -90.59 -43.96 9.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 71.53 111.169 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -92.15 171.43 7.71 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.52 -0.309 . . . . 71.5 110.239 179.296 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 13.3 Cg_endo -94.0 -174.59 0.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.195 2.597 . . . . 65.33 113.1 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 35.6 -144.15 0.09 OUTLIER Glycine 0 C--N 1.332 0.312 0 CA-C-N 115.263 -0.88 . . . . 62.31 114.814 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -39.94 62.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.373 -0.414 . . . . 61.3 111.277 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.923 HD12 HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -48.03 -55.11 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.982 -0.554 . . . . 70.03 110.968 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.867 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -60.12 -28.44 66.53 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.341 -0.933 . . . . 70.33 111.988 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -60.38 -56.45 21.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 74.43 110.343 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.71 -37.94 86.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.569 . . . . 74.43 111.554 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.923 HD11 HD12 ' A' ' 27' ' ' LEU . 7.2 mt -65.07 -63.24 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-O 121.467 0.651 . . . . 73.55 109.998 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -54.2 -18.27 3.69 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.152 -0.931 . . . . 75.01 110.109 178.831 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -97.86 -51.32 4.11 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.942 0.719 . . . . 73.34 112.942 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 72.1 mm-40 -97.84 -20.23 17.64 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.918 0.71 . . . . 71.44 112.918 -177.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.61 HD13 HG22 ' A' ' 9' ' ' THR . 16.8 mm -101.43 115.42 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.754 0.311 . . . . 72.42 110.752 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.7 p -81.44 171.65 14.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 70.31 111.263 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -60.03 -33.17 71.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 71.22 110.893 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -48.31 81.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.875 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.32 -42.55 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.44 110.932 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.514 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 40.3 t-105 -56.26 -41.31 75.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.262 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.67 80.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.955 -0.566 . . . . 53.14 110.496 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -67.19 -33.98 76.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 75.14 110.168 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.478 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 20.0 t-105 -71.54 -51.66 22.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.817 -0.629 . . . . 55.12 110.373 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 13.5 mm100 -48.15 -40.24 23.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.921 0.391 . . . . 74.45 110.655 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.428 ' O ' HG22 ' A' ' 48' ' ' THR . 30.0 t60 -64.89 -40.82 95.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 61.45 110.556 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 49' ' ' MET . 5.8 tptp -80.96 -19.8 43.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.027 0.441 . . . . 74.13 110.434 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' TRP . 43.3 tt0 -70.02 -52.45 24.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.834 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 45' ' ' HIS . 14.6 t -53.67 -42.93 68.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.099 -0.5 . . . . 74.14 111.792 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.493 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -74.31 -35.78 63.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.726 0.298 . . . . 74.2 110.952 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.655 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 21.3 mt -60.14 -30.67 69.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 72.5 110.355 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.021 HD11 HD11 ' A' ' 67' ' ' LEU . 69.2 mt -82.46 -42.96 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 73.01 110.949 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -72.36 -33.95 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 75.53 111.61 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -81.09 -51.23 8.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.634 0.254 . . . . 72.53 111.074 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -74.41 -6.37 47.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.447 -0.342 . . . . 71.11 110.748 179.714 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.77 59.01 1.19 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 120.889 0.376 . . . . 74.11 110.541 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.902 ' HB2' HG23 ' A' ' 51' ' ' ILE . 72.0 mt -92.75 -178.7 4.93 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.552 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.91 105.6 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.975 0.417 . . . . 70.12 110.728 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.678 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.75 -18.52 21.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.832 -0.622 . . . . 34.55 111.785 -179.577 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.22 -25.58 42.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 74.53 111.012 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' OD1' ' HB3' ' A' ' 62' ' ' GLU . 7.8 t-20 -95.92 121.91 38.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 73.54 110.753 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -58.91 -27.26 65.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 75.0 111.413 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 2.9 tm-20 -67.48 -36.37 81.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.458 -0.337 . . . . 72.21 111.169 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.428 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 26.3 m170 -85.39 -37.62 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 60.41 110.461 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -55.17 -45.15 75.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 71.4 110.25 179.515 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -63.62 -26.51 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.929 -0.578 . . . . 61.24 109.965 179.14 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.88 HD22 HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -64.56 -47.37 78.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.091 -0.504 . . . . 65.44 110.049 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.021 HD11 HD11 ' A' ' 51' ' ' ILE . 3.5 mt -52.57 -42.26 64.33 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.331 -0.618 . . . . 63.34 109.331 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.751 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -55.54 -24.36 31.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.948 -1.024 . . . . 75.24 110.763 179.378 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -80.25 -47.4 14.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.967 -0.56 . . . . 75.11 111.051 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' OE2' HD22 ' A' ' 50' ' ' LEU . 6.7 mt-10 -63.62 -46.24 86.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 62.35 111.446 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.416 ' SD ' ' CE2' ' A' ' 23' ' ' TYR . 2.4 ptm -45.32 -36.41 4.1 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.743 0.306 . . . . 72.11 111.156 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.843 HG13 ' HB2' ' A' ' 76' ' ' PHE . 37.8 t -63.33 -61.93 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.958 0.409 . . . . 73.42 110.526 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.29 -20.24 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 64.34 111.585 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -94.91 -50.44 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.609 0.243 . . . . 74.22 111.633 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 43' ' ' TRP . 1.1 mt -103.25 -42.96 5.58 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.797 0.665 . . . . 74.13 112.797 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.843 ' HB2' HG13 ' A' ' 72' ' ' VAL . 56.6 m-85 -101.71 28.62 5.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.41 0.522 . . . . 73.34 112.41 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.1 tm-20 -65.33 41.18 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.901 0.381 . . . . 71.23 111.655 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.445 -0.767 0 C-N-CA 121.336 -0.459 . . . . 72.21 112.057 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.852 0.358 . . . . 75.42 110.698 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 33' ' ' ASN . 24.0 pt -79.72 -175.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.21 111.407 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -123.91 100.46 6.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 72.41 109.852 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.657 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 31.1 t -59.27 146.18 40.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 65.22 110.865 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.465 HG22 HD13 ' A' ' 35' ' ' ILE . 13.7 t -97.23 -27.05 14.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 73.23 111.157 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 48.2 t80 -74.57 -40.15 61.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.097 0.475 . . . . 73.04 110.105 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.71 -13.38 22.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.618 -0.719 . . . . 73.11 110.859 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 54.89 43.37 30.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.249 -0.432 . . . . 71.4 110.677 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -138.5 -169.13 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.249 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.48 119.02 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.396 . . . . 65.42 110.947 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB3' ' HB3' ' A' ' 36' ' ' SER . . . -125.8 167.5 15.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 54.41 111.096 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -10.68 59.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 72.43 111.492 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.27 -174.1 10.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.615 -0.802 . . . . 53.22 112.566 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.53 177.48 5.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.74 0.305 . . . . 62.42 110.973 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.72 -23.66 8.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.315 -0.402 . . . . 63.02 111.54 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.637 ' CE2' HD11 ' A' ' 22' ' ' LEU . 4.1 p90 -141.65 138.42 32.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.827 0.346 . . . . 75.5 110.914 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' NE2' ' HA2' ' A' ' 25' ' ' GLY . 9.4 tt0 -67.49 120.77 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.241 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.637 HD11 ' CE2' ' A' ' 20' ' ' PHE . 8.5 mp -94.84 -39.1 10.42 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.15 -0.477 . . . . 71.53 110.554 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.76 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -84.03 169.06 18.19 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.576 -0.738 . . . . 71.5 110.76 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.76 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 2.1 Cg_endo -42.68 -177.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.877 3.052 . . . . 65.33 113.098 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.514 ' HA2' ' NE2' ' A' ' 21' ' ' GLN . . . -81.11 -52.5 4.27 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.798 -0.715 . . . . 62.31 114.644 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.55 -54.64 42.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.981 0.419 . . . . 61.3 111.016 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.684 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -84.2 -51.37 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.266 0.839 . . . . 70.03 113.266 -178.18 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.555 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -44.32 -27.99 1.32 Allowed Glycine 0 C--O 1.23 -0.14 0 C-N-CA 120.525 -0.845 . . . . 70.33 113.687 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -58.0 -60.3 3.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.857 0.328 . . . . 74.43 110.969 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -57.28 -38.78 74.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.49 -0.323 . . . . 74.43 111.538 -179.616 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.664 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 4.0 mt -66.5 -58.26 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.097 0.475 . . . . 73.55 110.284 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -61.17 -19.17 61.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.543 -0.753 . . . . 75.01 111.075 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.453 ' O ' HD12 ' A' ' 6' ' ' ILE . 53.8 m-20 -100.86 -49.36 4.17 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.994 0.739 . . . . 73.34 112.994 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.657 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.4 mm-40 -94.9 -25.36 16.6 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.993 0.738 . . . . 71.44 112.993 -177.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 20.4 mm -100.13 109.81 25.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.984 0.421 . . . . 72.42 111.003 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.474 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 77.5 p -70.41 177.9 3.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.821 -0.627 . . . . 70.31 110.905 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -64.7 -34.48 78.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.399 . . . . 71.22 111.033 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.14 -50.69 69.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 72.33 110.826 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -64.52 -33.74 76.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 63.44 110.698 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.664 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 49.9 t-105 -68.62 -38.26 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.797 -0.638 . . . . 72.4 110.64 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.56 -22.08 66.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 53.14 110.845 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -83.2 -25.68 31.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.291 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.624 ' HB2' HD11 ' A' ' 75' ' ' LEU . 18.3 t-105 -81.53 -49.27 10.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.895 -0.593 . . . . 55.12 110.35 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -48.69 -42.09 33.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.593 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.515 ' O ' HG22 ' A' ' 48' ' ' THR . 50.9 t60 -61.03 -43.34 99.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.132 -0.486 . . . . 61.45 109.914 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 49' ' ' MET . 13.0 tptt -74.71 -21.34 59.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 74.13 110.6 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.666 ' HG3' HD21 ' A' ' 67' ' ' LEU . 5.9 tt0 -70.36 -54.04 14.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 75.45 110.652 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 45' ' ' HIS . 12.7 t -53.64 -38.94 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 74.14 111.813 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -79.62 -43.69 22.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.594 0.235 . . . . 74.2 111.39 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 25.3 mt -55.18 -37.59 67.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.408 . . . . 72.5 110.665 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.797 HG23 ' HB2' ' A' ' 56' ' ' LEU . 83.3 mt -74.49 -39.1 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.009 -0.542 . . . . 73.01 111.253 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -76.73 -29.27 56.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.353 -0.385 . . . . 75.53 111.156 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -86.17 -53.43 5.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.474 -0.33 . . . . 72.53 111.249 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -74.17 -9.47 58.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.413 -0.358 . . . . 71.11 110.713 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.17 63.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 74.11 110.67 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.921 HD21 HD22 ' A' ' 66' ' ' LEU . 52.5 mt -93.85 -173.89 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 75.54 110.905 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -155.51 103.61 2.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 70.12 110.384 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.723 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.17 -21.83 35.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 34.55 111.374 -179.608 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -19.96 47.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.698 0.285 . . . . 74.53 110.835 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -98.77 124.66 43.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 73.54 110.767 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.78 -32.81 73.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.198 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -37.34 82.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 72.21 111.014 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -85.34 -38.72 18.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 60.41 110.79 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.92 -45.95 64.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.36 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -68.82 -22.37 64.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.925 -0.579 . . . . 61.24 110.418 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.921 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -68.96 -37.42 78.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.062 0.458 . . . . 65.44 109.867 179.315 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.666 HD21 ' HG3' ' A' ' 47' ' ' GLN . 0.7 OUTLIER -67.79 -47.29 69.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.884 -0.598 . . . . 63.34 109.711 179.115 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' CA ' ' HE2' ' A' ' 71' ' ' MET . 3.3 pt-20 -60.08 -23.47 63.81 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.708 -0.678 . . . . 75.24 109.976 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -75.23 -46.55 33.1 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.816 -0.629 . . . . 75.11 110.317 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.0 -43.2 75.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.484 . . . . 62.35 110.542 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.563 ' CE ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -47.89 -46.27 31.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.07 -0.514 . . . . 72.11 111.256 -179.771 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.826 HG13 ' HB2' ' A' ' 76' ' ' PHE . 88.7 t -53.78 -57.98 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 121.222 0.534 . . . . 73.42 110.054 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -51.14 -20.21 1.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.629 -0.714 . . . . 64.34 111.033 179.228 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -95.16 -50.06 5.23 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.343 -0.39 . . . . 74.22 111.426 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.26 -46.9 4.47 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.297 0.48 . . . . 74.13 112.297 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.826 ' HB2' HG13 ' A' ' 72' ' ' VAL . 95.1 m-85 -94.92 28.02 2.9 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 112.124 0.416 . . . . 73.34 112.124 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.0 tt0 -68.38 58.6 0.08 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.072 0.463 . . . . 71.23 110.826 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 C-N-CA 121.081 -0.58 . . . . 72.21 112.321 -179.861 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.554 HG22 ' HG2' ' A' ' 14' ' ' GLU . 7.4 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.849 0.357 . . . . 75.42 110.552 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 33' ' ' ASN . 28.2 pt -79.4 -173.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.059 -0.519 . . . . 72.21 111.375 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 9.2 t80 -119.39 103.8 9.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.762 -0.654 . . . . 72.41 110.133 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.666 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 43.3 t -67.61 148.45 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.374 . . . . 65.22 110.591 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.505 HG22 ' CD1' ' A' ' 35' ' ' ILE . 13.0 t -97.67 -21.85 16.78 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.846 0.355 . . . . 73.23 111.156 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 46.4 t80 -74.19 -48.52 28.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.034 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -15.2 33.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 73.11 110.627 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 60.34 41.38 16.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 71.4 110.372 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.02 -170.98 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 73.2 110.352 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HG2' HG22 ' A' ' 5' ' ' THR . 4.1 tt0 -104.6 114.87 29.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.442 -0.344 . . . . 65.42 110.904 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.01 168.62 19.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 54.41 111.143 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.38 176.71 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.724 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.76 168.73 21.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.674 -0.774 . . . . 53.22 112.519 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.84 149.37 24.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.868 0.366 . . . . 62.42 110.702 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.19 -27.09 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 63.02 111.539 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -131.37 133.27 45.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.39 . . . . 75.5 111.239 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 38.1 tt0 -59.52 118.66 6.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 75.54 110.966 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HG ' ' NE1' ' A' ' 40' ' ' TRP . 3.0 mm? -73.72 -43.92 57.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.128 -0.487 . . . . 71.53 111.403 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.629 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -95.69 166.08 15.29 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 71.5 110.476 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -92.95 -169.59 0.24 Allowed 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.879 2.386 . . . . 65.33 112.971 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.3 -146.09 0.15 Allowed Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.229 -0.896 . . . . 62.31 114.493 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -75.79 -39.87 56.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.329 -0.436 . . . . 61.3 111.295 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.871 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -50.81 -54.02 27.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.982 -179.746 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.656 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -58.5 -30.68 65.46 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.519 -0.848 . . . . 70.33 112.671 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -43.73 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.623 0.249 . . . . 74.43 111.234 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.871 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.7 ptm180 -69.72 -37.98 76.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 74.43 111.286 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.791 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 5.0 mt -64.47 -59.67 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.551 0.691 . . . . 73.55 109.823 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.49 ' HB2' ' HA ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -56.11 -18.51 10.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.882 -1.054 . . . . 75.01 111.182 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.533 ' O ' HD12 ' A' ' 6' ' ' ILE . 33.7 m-20 -100.41 -55.16 2.67 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.857 0.688 . . . . 73.34 112.857 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.666 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 61.3 mm-40 -95.12 -17.81 21.49 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.751 0.649 . . . . 71.44 112.751 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.619 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 21.8 mm -104.02 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.021 0.439 . . . . 72.42 110.889 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.9 p -59.78 -174.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.64 -0.709 . . . . 70.31 111.039 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -73.13 -35.0 66.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.405 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.53 -49.79 73.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.845 -0.616 . . . . 72.33 111.15 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.94 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 63.44 111.092 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.791 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 28.2 t-105 -63.01 -41.3 99.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 72.4 110.647 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.88 -28.26 69.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 53.14 110.852 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -81.06 -31.24 34.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 75.14 109.902 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.546 ' CZ2' ' HB3' ' A' ' 71' ' ' MET . 22.6 t-105 -72.95 -49.71 27.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.915 -0.584 . . . . 55.12 109.985 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -43.39 32.7 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.996 0.427 . . . . 74.45 110.623 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -65.77 -31.59 72.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.789 -0.642 . . . . 61.45 110.629 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 49' ' ' MET . 1.2 tptt -86.05 -26.55 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 74.13 110.876 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.43 ' O ' HG13 ' A' ' 51' ' ' ILE . 34.0 tt0 -66.49 -51.83 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.967 0.413 . . . . 75.45 110.486 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.2 t -53.0 -38.54 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.846 -0.615 . . . . 74.14 112.129 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 2.0 ptp -80.19 -34.47 37.44 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.074 -0.25 . . . . 74.2 111.321 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 45.8 mt -64.72 -30.94 71.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 72.5 110.531 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.99 HD11 HD11 ' A' ' 67' ' ' LEU . 49.9 mt -77.44 -38.59 26.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 73.01 110.513 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -78.26 -33.83 49.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.783 -0.644 . . . . 75.53 111.301 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -78.66 -54.38 6.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.743 0.306 . . . . 72.53 111.055 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -75.71 -6.18 49.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.319 -0.4 . . . . 71.11 110.635 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm 61.67 61.92 1.37 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.331 -0.395 . . . . 74.11 110.835 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.993 HD21 HD22 ' A' ' 66' ' ' LEU . 52.0 mt -88.11 -174.95 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 75.54 110.404 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.61 101.64 1.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 70.12 110.61 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.71 ' CE ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -56.73 -18.21 11.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.846 -0.616 . . . . 34.55 111.79 -179.306 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -14.1 58.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.577 0.227 . . . . 74.53 111.488 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -115.21 129.51 56.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.962 0.411 . . . . 73.54 110.965 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.98 -34.66 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 75.0 111.349 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -42.8 67.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 72.21 111.398 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.434 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 47.9 m170 -85.65 -33.22 21.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 60.41 111.134 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -52.41 -52.64 52.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 71.4 110.746 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.556 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 3.1 pttp -64.31 -28.89 70.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.961 -0.563 . . . . 61.24 110.889 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.993 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -60.77 -37.82 83.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.967 0.413 . . . . 65.44 109.925 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.99 HD11 HD11 ' A' ' 51' ' ' ILE . 3.2 mt -63.73 -47.94 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 63.34 109.886 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.68 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.91 -24.99 26.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.816 -0.629 . . . . 75.24 110.483 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.41 -48.3 20.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 75.11 110.414 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.35 -49.32 77.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.564 . . . . 62.35 110.926 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.546 ' HB3' ' CZ2' ' A' ' 43' ' ' TRP . 8.9 ptm -50.61 -35.53 30.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.326 -0.397 . . . . 72.11 111.096 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.765 HG13 ' HB2' ' A' ' 76' ' ' PHE . 86.1 t -66.82 -59.49 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 120.927 0.394 . . . . 73.42 110.269 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 4.5 t30 -52.01 -18.93 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 64.34 111.033 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -95.24 -51.13 4.74 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.509 -0.314 . . . . 74.22 111.651 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -103.26 -44.17 5.25 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.421 0.526 . . . . 74.13 112.421 -178.778 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.765 ' HB2' HG13 ' A' ' 72' ' ' VAL . 91.2 m-85 -97.22 28.62 3.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.36 0.504 . . . . 73.34 112.36 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 31.4 tt0 -67.09 59.25 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.192 0.52 . . . . 71.23 110.615 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.45 -0.417 0 CA-C-N 115.616 -0.72 . . . . 72.21 111.825 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.849 0.356 . . . . 75.42 110.952 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.3 pt -82.35 -175.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 72.21 111.387 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 11.3 t80 -120.76 100.79 7.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.566 . . . . 72.41 110.126 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.8 t -59.32 144.64 45.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.369 -0.378 . . . . 65.22 110.78 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.635 HG22 HD13 ' A' ' 35' ' ' ILE . 14.8 t -97.02 -25.1 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.591 -0.277 . . . . 73.23 111.115 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 54.5 t80 -74.61 -42.71 58.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.029 0.442 . . . . 73.04 110.144 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.62 -13.1 32.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.881 -0.6 . . . . 73.11 110.595 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 57.27 42.6 24.94 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.37 -0.377 . . . . 71.4 110.031 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -141.35 -166.39 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.907 -0.588 . . . . 73.2 110.522 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 1.3 tt0 -111.32 117.86 34.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 65.42 110.949 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HB3' ' CB ' ' A' ' 36' ' ' SER . . . -122.58 -178.49 3.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 54.41 111.272 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.89 -12.75 59.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 72.43 111.453 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 36' ' ' SER . . . 59.56 174.09 0.73 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.625 -0.798 . . . . 53.22 112.43 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -83.73 175.83 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 62.42 110.822 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.06 -26.41 7.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 63.02 111.254 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -142.27 143.15 32.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 75.5 111.089 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 24' ' ' PRO . 20.1 tt0 -66.22 122.05 16.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.99 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.25 -36.8 9.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.522 . . . . 71.53 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.697 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -85.94 169.01 16.75 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.824 -0.625 . . . . 71.5 110.617 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.697 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 3.4 Cg_endo -43.97 -173.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.585 2.857 . . . . 65.33 113.109 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.96 -74.57 0.57 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 115.466 0.946 . . . . 62.31 115.466 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -53.95 -55.65 25.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.504 0.557 . . . . 61.3 112.504 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.74 HD22 ' HE3' ' A' ' 71' ' ' MET . 5.5 mt -74.46 -54.61 7.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.757 0.651 . . . . 70.03 112.757 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.858 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -50.19 -20.5 3.44 Favored Glycine 0 C--O 1.229 -0.179 0 C-N-CA 120.203 -0.999 . . . . 70.33 113.673 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -57.22 5.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.066 0.433 . . . . 74.43 111.121 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.672 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 8.2 ptp180 -58.36 -37.46 75.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.667 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.858 HD12 ' HA2' ' A' ' 28' ' ' GLY . 5.0 mt -63.73 -55.52 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 121.642 0.734 . . . . 73.55 109.596 178.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -20.5 38.15 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.584 -1.189 . . . . 75.01 110.811 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -100.56 -53.38 3.1 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.101 0.778 . . . . 73.34 113.101 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.571 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -95.1 -24.21 16.97 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.976 0.732 . . . . 71.44 112.976 -178.006 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.635 HD13 HG22 ' A' ' 9' ' ' THR . 17.6 mm -99.49 98.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.953 0.406 . . . . 72.42 110.79 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.414 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 80.3 p -62.69 -179.32 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.895 -0.593 . . . . 70.31 111.046 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -69.67 -34.8 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.22 111.124 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -60.25 -50.97 71.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.959 0.409 . . . . 72.33 110.459 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.87 78.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 63.44 110.56 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.722 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 31.2 t-105 -62.81 -47.1 84.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.601 . . . . 72.4 110.812 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.39 -21.42 36.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 53.14 111.194 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -82.05 -34.95 29.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.883 0.373 . . . . 75.14 110.04 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 17.2 t-105 -72.84 -51.78 17.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 55.12 110.121 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -46.18 -43.42 15.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.948 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.492 ' O ' HG22 ' A' ' 48' ' ' THR . 51.8 t60 -61.66 -42.6 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 61.45 110.55 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 0.8 OUTLIER -78.16 -24.44 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 74.13 110.822 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.411 ' HG3' HD13 ' A' ' 67' ' ' LEU . 8.0 tt0 -65.96 -51.54 57.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 75.45 111.012 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 45' ' ' HIS . 14.3 t -54.63 -41.98 70.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.432 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.436 ' SD ' ' HA ' ' A' ' 46' ' ' LYS . 2.8 ptm -77.78 -29.44 50.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.626 0.251 . . . . 74.2 110.859 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.653 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 13.1 mt -65.94 -29.22 69.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 72.5 110.251 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.879 HD11 HD11 ' A' ' 67' ' ' LEU . 63.2 mt -83.67 -37.26 13.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.037 -0.529 . . . . 73.01 110.655 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -73.14 -49.03 30.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.968 -0.56 . . . . 75.53 111.186 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.74 -53.55 26.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 72.53 111.405 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.653 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -73.22 -13.97 61.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.339 . . . . 71.11 110.909 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt 66.86 63.09 0.49 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.345 -0.389 . . . . 74.11 111.107 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.827 ' HB2' HG23 ' A' ' 51' ' ' ILE . 73.3 mt -93.37 179.51 5.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.446 -0.343 . . . . 75.54 110.423 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -144.39 108.88 4.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.779 0.323 . . . . 70.12 110.814 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.803 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.45 -21.81 65.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 34.55 111.692 -179.37 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -28.75 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 74.53 110.988 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.74 125.99 38.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.352 -0.386 . . . . 73.54 110.703 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -63.9 -28.72 70.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 75.0 111.391 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.15 -40.94 82.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.326 -0.397 . . . . 72.21 111.433 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.421 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 39.6 m170 -85.65 -38.53 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 60.41 110.889 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.89 -46.01 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 71.4 110.384 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -65.66 -28.34 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 61.24 110.333 179.343 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.551 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -64.46 -45.13 88.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.013 -0.54 . . . . 65.44 110.408 179.484 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.879 HD11 HD11 ' A' ' 51' ' ' ILE . 3.4 mt -55.35 -47.15 76.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.026 -0.534 . . . . 63.34 110.536 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 10.8 mt-10 -50.77 -25.75 4.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 75.24 110.605 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -52.59 10.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 75.11 111.115 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -56.15 -52.04 65.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 62.35 111.256 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.74 ' HE3' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -43.67 -42.45 5.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.081 -0.509 . . . . 72.11 111.761 -179.322 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.813 HG13 ' HB2' ' A' ' 76' ' ' PHE . 97.3 t -54.57 -57.53 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.905 0.383 . . . . 73.42 110.592 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 3.1 t30 -51.8 -20.34 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 64.34 111.419 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.433 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 27.4 t80 -95.4 -51.24 4.66 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.926 0.343 . . . . 74.22 111.926 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -101.95 -45.13 5.29 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.55 0.574 . . . . 74.13 112.55 -178.581 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.813 ' HB2' HG13 ' A' ' 72' ' ' VAL . 49.5 m-85 -97.78 28.58 3.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.315 0.487 . . . . 73.34 112.315 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -67.8 60.26 0.07 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.47 -0.787 . . . . 71.23 110.683 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.629 0 CA-C-N 115.658 -0.701 . . . . 72.21 112.119 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.866 0.365 . . . . 75.42 110.275 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.4 pt -80.64 -178.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.138 0.494 . . . . 72.21 111.56 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -117.95 95.8 5.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.568 -0.742 . . . . 72.41 109.766 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.71 147.16 34.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 65.22 110.751 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.602 HG22 HD13 ' A' ' 35' ' ' ILE . 15.3 t -97.93 -24.2 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 73.23 110.972 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -74.52 -45.5 45.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.04 110.23 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -88.78 -17.11 30.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.895 -0.593 . . . . 73.11 110.482 179.048 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 60.62 41.29 15.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 71.4 110.143 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.29 -174.84 4.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 73.2 110.419 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -99.09 113.23 25.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.691 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.62 158.29 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 54.41 110.878 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.08 -19.78 47.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 72.43 111.284 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.09 -167.8 54.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.763 . . . . 53.22 112.437 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.67 179.86 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 62.42 110.828 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -122.56 -26.48 4.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 63.02 111.513 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -134.04 134.87 42.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 75.5 111.44 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 21.5 tt0 -60.72 127.96 34.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 75.54 110.753 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.546 HD13 ' NE1' ' A' ' 40' ' ' TRP . 1.9 mt -93.18 -41.19 10.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 71.53 111.184 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.646 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -94.82 166.97 13.96 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.408 -0.36 . . . . 71.5 110.116 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.535 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 11.1 Cg_endo -93.85 -176.72 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.966 2.444 . . . . 65.33 113.006 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.12 -141.95 5.12 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.43 -0.805 . . . . 62.31 114.145 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -81.2 -39.42 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.525 -0.338 . . . . 61.3 111.326 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.793 ' HG ' ' HG3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -49.62 -54.2 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.103 0.478 . . . . 70.03 110.557 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.646 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.85 -30.99 60.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.298 -0.953 . . . . 70.33 111.368 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -50.99 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 74.43 110.212 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.655 ' HD2' HD13 ' A' ' 27' ' ' LEU . 4.8 ptp180 -63.81 -42.2 97.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 74.43 110.955 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.759 HD11 HD12 ' A' ' 27' ' ' LEU . 10.5 mt -62.05 -56.75 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.586 0.707 . . . . 73.55 109.408 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.59 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -58.45 -18.46 28.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.847 -1.07 . . . . 75.01 109.719 178.137 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -91.9 -64.44 1.11 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.71 0.633 . . . . 73.34 112.71 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.6 -12.35 27.63 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.957 0.725 . . . . 71.44 112.957 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.616 HG21 HD22 ' A' ' 75' ' ' LEU . 16.0 mm -108.27 92.93 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.982 0.42 . . . . 72.42 111.035 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 p -60.82 -178.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 70.31 110.73 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -68.44 -32.05 71.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.387 -0.369 . . . . 71.22 111.241 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.53 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.1 tt0 -61.76 -45.36 94.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.4 -0.364 . . . . 72.33 111.074 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.87 -37.89 64.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 63.44 110.751 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 54.5 t-105 -61.96 -33.07 73.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 72.4 110.838 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.48 -27.53 66.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 53.14 111.067 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -77.29 -33.86 55.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.047 0.451 . . . . 75.14 109.995 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 19.8 t-105 -70.97 -50.22 36.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.885 -0.598 . . . . 55.12 110.106 179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -52.75 -38.44 60.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.378 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.428 ' O ' HG22 ' A' ' 48' ' ' THR . 12.1 t-80 -64.3 -32.21 73.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.754 -0.657 . . . . 61.45 110.138 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 7.5 tptt -87.78 -25.35 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 74.13 110.783 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.613 ' HG3' HD21 ' A' ' 67' ' ' LEU . 21.1 tt0 -60.69 -51.41 69.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 75.45 110.295 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 45' ' ' HIS . 12.1 t -49.45 -43.73 45.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 74.14 111.524 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 5.3 ptp -78.01 -35.57 49.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 74.2 110.879 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.552 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 17.0 mt -63.94 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.391 . . . . 72.5 110.546 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.827 HG23 ' HB2' ' A' ' 56' ' ' LEU . 64.9 mt -83.16 -46.33 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 73.01 111.135 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -71.07 -27.26 63.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 75.53 111.454 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -86.26 -54.0 4.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.505 -0.316 . . . . 72.53 111.502 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -75.04 -5.61 45.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.556 -0.293 . . . . 71.11 111.391 -179.645 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER 66.75 60.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 74.11 110.897 -179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.827 ' HB2' HG23 ' A' ' 51' ' ' ILE . 90.5 mt -97.72 170.9 8.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 75.54 110.148 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -145.12 105.53 4.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 70.12 111.036 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.601 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -55.49 -19.11 8.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 34.55 111.57 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -28.36 41.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.762 0.315 . . . . 74.53 110.645 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.44 105.55 17.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.479 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -45.87 -30.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 75.0 111.639 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 14.1 tp10 -64.11 -33.97 76.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 72.21 111.258 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -85.38 -39.22 17.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.257 -0.429 . . . . 60.41 110.824 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -38.63 60.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.346 -0.388 . . . . 71.4 110.269 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 11.1 ptpt -75.26 -26.85 59.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 61.24 110.065 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.59 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -61.84 -43.44 98.84 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.281 -0.637 . . . . 65.44 109.281 178.788 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD21 ' HG3' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -60.08 -33.95 72.79 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.04 -0.726 . . . . 63.34 109.04 178.309 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.793 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 42.9 tt0 -61.85 -21.92 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.233 -0.894 . . . . 75.24 110.161 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -82.42 -49.99 9.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 75.11 110.888 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -64.6 -32.59 74.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 62.35 110.989 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.487 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 3.1 ptm -56.85 -34.18 67.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.403 -0.362 . . . . 72.11 111.377 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.828 HG13 ' HB2' ' A' ' 76' ' ' PHE . 86.3 t -62.16 -59.51 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 73.42 110.565 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 49.4 t-20 -50.51 -19.67 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 64.34 111.389 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -95.32 -50.46 5.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.493 -0.322 . . . . 74.22 111.656 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.616 HD22 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -103.4 -45.17 4.94 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.775 0.657 . . . . 74.13 112.775 -178.418 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.828 ' HB2' HG13 ' A' ' 72' ' ' VAL . 54.7 m-85 -97.81 28.58 3.8 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.03 0.382 . . . . 73.34 112.03 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 1.3 tt0 -66.29 58.25 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.857 -0.61 . . . . 71.23 111.113 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.522 0 C-N-CA 120.943 -0.646 . . . . 72.21 112.51 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.47 HG22 ' HG2' ' A' ' 14' ' ' GLU . 18.5 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.816 0.341 . . . . 75.42 110.663 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.9 pt -80.98 -177.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 72.21 111.196 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 4.6 t80 -118.96 100.46 7.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.921 -0.581 . . . . 72.41 110.001 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 22.8 t -62.32 145.8 52.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 65.22 110.782 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.522 HG22 HD13 ' A' ' 35' ' ' ILE . 13.5 t -96.89 -22.21 17.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 73.23 110.629 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -74.3 -44.89 50.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 73.04 109.842 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -92.43 -18.46 23.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.577 -0.738 . . . . 73.11 110.628 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 62.36 41.17 10.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 71.4 110.485 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HD2' ' HB3' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -140.24 -173.82 3.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 73.2 110.372 179.123 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.47 ' HG2' HG22 ' A' ' 5' ' ' THR . 3.6 tt0 -103.51 112.71 25.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 65.42 110.764 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' HG23 ' A' ' 5' ' ' THR . . . -120.96 158.94 26.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 54.41 111.286 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.03 -22.12 36.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 72.43 111.433 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.46 -151.88 52.0 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.795 -0.717 . . . . 53.22 112.869 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HG3' ' HG2' ' A' ' 37' ' ' LYS . 9.7 mp0 -116.44 167.14 11.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.85 0.357 . . . . 62.42 110.977 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -106.86 -23.57 12.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 63.02 111.182 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -138.41 144.24 40.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 75.5 111.016 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 45.5 tt0 -64.21 118.69 8.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.81 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.401 HD12 ' NE1' ' A' ' 40' ' ' TRP . 20.5 mt -84.32 -36.93 22.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 71.53 111.579 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.65 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -100.97 164.09 16.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.607 0.242 . . . . 71.5 110.544 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 9.0 Cg_endo -92.21 -165.41 0.15 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.901 2.401 . . . . 65.33 112.718 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.63 -148.81 0.52 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.392 -0.822 . . . . 62.31 114.128 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -81.51 -38.13 26.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.135 -0.533 . . . . 61.3 111.581 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.647 HD22 ' SD ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -56.08 -46.06 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 70.03 110.5 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.615 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -58.07 -34.84 74.21 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.17 -1.014 . . . . 70.33 111.856 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -41.94 77.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.564 0.221 . . . . 74.43 110.985 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 16.2 ptm180 -70.07 -43.8 70.41 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.615 -0.266 . . . . 74.43 110.936 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.624 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 6.5 mt -60.12 -53.51 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 CA-C-O 121.628 0.728 . . . . 73.55 109.434 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -60.15 -18.26 46.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.684 -1.144 . . . . 75.01 109.97 178.538 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -96.54 -54.87 3.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.906 0.706 . . . . 73.34 112.906 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 20.3 mt-10 -94.68 -16.17 23.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.794 0.665 . . . . 71.44 112.794 -177.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.587 ' CG2' HD22 ' A' ' 75' ' ' LEU . 15.2 mm -109.34 127.35 66.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.887 0.375 . . . . 72.42 110.585 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -94.49 178.28 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 70.31 111.202 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HG2' ' HG3' ' A' ' 18' ' ' GLN . 4.3 mttm -63.04 -37.08 85.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 71.22 110.973 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 2.4 tt0 -57.83 -44.82 86.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.866 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.21 -36.76 29.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.496 -0.32 . . . . 63.44 110.849 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.624 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 52.8 t-105 -62.64 -38.16 89.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 72.4 110.35 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.0 94.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.117 -0.492 . . . . 53.14 110.345 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 17.3 mt-30 -64.18 -33.23 75.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 75.14 110.215 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.684 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 26.1 t-105 -70.38 -49.87 44.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 55.12 110.489 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.75 -50.68 43.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 74.45 110.515 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -57.56 -31.86 66.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.933 -0.576 . . . . 61.45 110.351 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 3.2 tppt? -83.68 -28.79 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 74.13 110.594 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.573 ' HA ' HD11 ' A' ' 67' ' ' LEU . 24.2 tt0 -62.18 -53.84 49.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 75.45 110.465 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 49' ' ' MET . 13.9 t -53.58 -48.67 68.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.846 -0.615 . . . . 74.14 111.623 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.467 ' N ' HG23 ' A' ' 48' ' ' THR . 20.0 ptm -66.68 -35.17 79.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 74.2 111.167 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.617 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 15.6 mt -58.91 -34.65 71.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.021 0.439 . . . . 72.5 110.386 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.795 HG23 ' HB2' ' A' ' 56' ' ' LEU . 52.0 mt -80.66 -37.85 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 73.01 111.074 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -73.11 -40.31 65.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.89 -0.596 . . . . 75.53 111.649 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -78.56 -54.34 6.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.642 -0.254 . . . . 72.53 111.572 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.4 -8.51 54.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.603 0.239 . . . . 71.11 111.238 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? 63.87 60.37 1.05 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.806 0.336 . . . . 74.11 110.975 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.948 HD21 HD22 ' A' ' 66' ' ' LEU . 81.9 mt -92.85 -175.77 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.536 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.85 102.13 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.945 0.402 . . . . 70.12 110.821 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.735 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -61.79 -14.08 29.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 34.55 111.58 -179.7 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 ttm -79.43 -8.67 59.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.707 0.289 . . . . 74.53 110.808 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.48 124.88 46.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 73.54 110.493 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.456 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -54.0 -35.53 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 75.0 111.36 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -54.43 -43.19 71.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.393 . . . . 72.21 111.474 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -85.58 -39.2 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 60.41 110.996 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -47.11 -48.9 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 71.4 110.999 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -65.89 -26.92 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 61.24 110.838 179.838 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.948 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -55.09 -44.18 74.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.375 -0.375 . . . . 65.44 110.702 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.684 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -61.89 -45.19 94.81 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.82 -0.437 . . . . 63.34 109.82 179.191 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.609 ' CG ' HD13 ' A' ' 27' ' ' LEU . 18.6 tt0 -57.76 -21.58 42.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.781 -0.645 . . . . 75.24 110.138 179.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -80.38 -50.37 10.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.789 -0.641 . . . . 75.11 110.622 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.82 -25.63 67.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 62.35 111.534 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.647 ' SD ' HD22 ' A' ' 27' ' ' LEU . 3.1 ptm -58.39 -33.98 70.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 72.11 110.97 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.784 HG13 ' HB2' ' A' ' 76' ' ' PHE . 83.6 t -63.51 -59.71 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.204 0.526 . . . . 73.42 109.776 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -48.46 -22.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.717 -0.674 . . . . 64.34 111.52 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -93.39 -53.11 4.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.525 -0.307 . . . . 74.22 111.667 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.587 HD22 ' CG2' ' A' ' 35' ' ' ILE . 1.1 mt -101.97 -39.57 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.845 0.683 . . . . 74.13 112.845 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.784 ' HB2' HG13 ' A' ' 72' ' ' VAL . 30.8 m-85 -101.67 28.72 5.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.94 0.4 . . . . 73.34 111.606 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 tt0 -66.74 59.44 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.586 -0.733 . . . . 71.23 110.703 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 110.879 -0.889 . . . . 72.21 110.879 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 75.42 110.513 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt -80.08 -175.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 72.21 111.34 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 7.0 t80 -119.66 96.73 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 72.41 110.265 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 24.4 t -59.46 146.66 39.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 65.22 110.849 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.588 HG22 HD13 ' A' ' 35' ' ' ILE . 15.2 t -98.03 -24.53 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 73.23 110.729 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -74.38 -45.0 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.112 0.482 . . . . 73.04 109.965 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.0 -18.75 28.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.64 -0.709 . . . . 73.11 110.728 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 62.48 40.49 10.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.417 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -142.17 -171.17 3.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.972 -0.558 . . . . 73.2 110.39 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -106.88 114.22 28.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 65.42 110.45 179.646 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.98 158.97 43.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.052 0.454 . . . . 54.41 111.663 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 176.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 72.43 110.799 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -128.72 -172.9 13.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.55 -0.833 . . . . 53.22 112.791 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.0 143.61 32.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 62.42 110.529 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -27.62 35.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 63.02 111.29 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -130.11 132.76 46.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.351 . . . . 75.5 111.24 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 26.9 tt0 -60.55 137.35 58.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.622 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.2 mt -96.75 -42.25 8.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 71.53 111.365 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.647 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -93.92 160.43 32.45 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.352 -0.385 . . . . 71.5 110.262 179.643 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.604 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 24.5 Cg_endo -89.29 -176.48 1.33 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.55 2.167 . . . . 65.33 113.195 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.96 -139.79 1.99 Allowed Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.182 -0.917 . . . . 62.31 114.267 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HB2' HH21 ' A' ' 30' ' ' ARG . 4.3 mm-40 -81.44 -43.36 19.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.324 -0.438 . . . . 61.3 111.977 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 68' ' ' GLU . 3.7 mt -47.11 -45.8 22.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.902 0.382 . . . . 70.03 110.211 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.68 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -65.44 -32.17 82.61 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.687 -0.768 . . . . 70.33 112.252 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 4.8 ttpp -61.35 -55.71 28.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 74.43 110.318 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 1.8 ptp180 -59.92 -42.44 93.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.015 -0.538 . . . . 74.43 112.106 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.804 HD11 ' HE1' ' A' ' 71' ' ' MET . 8.0 mt -60.51 -59.27 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-O 121.654 0.74 . . . . 73.55 109.879 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.8 -17.9 27.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.73 -1.123 . . . . 75.01 110.371 179.011 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.2 m-80 -95.51 -61.25 1.5 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.389 0.514 . . . . 73.34 112.389 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.562 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 mm-40 -94.59 -15.96 23.63 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.904 0.705 . . . . 71.44 112.904 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.588 HD13 HG22 ' A' ' 9' ' ' THR . 13.0 mm -105.0 94.61 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 72.42 110.6 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 p -58.46 -177.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.044 -0.525 . . . . 70.31 110.793 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -27.48 62.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 71.22 110.812 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -47.11 72.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 72.33 110.783 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.43 -40.62 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 63.44 110.975 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.468 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 32.5 t-105 -60.28 -35.88 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.779 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.19 -23.25 65.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 53.14 111.093 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -80.1 -27.87 39.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.385 . . . . 75.14 110.224 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.704 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 24.9 t-105 -81.46 -52.82 6.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.038 -0.528 . . . . 55.12 110.342 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -48.0 -40.27 22.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 74.45 110.581 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -65.22 -33.01 74.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.847 -0.615 . . . . 61.45 110.037 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' O ' ' HG3' ' A' ' 49' ' ' MET . 9.7 tptt -86.39 -19.53 29.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.853 -0.612 . . . . 74.13 110.639 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.498 ' HA ' HD11 ' A' ' 67' ' ' LEU . 2.2 tt0 -70.01 -46.91 64.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 75.45 110.516 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 t -57.53 -40.87 79.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.994 -0.548 . . . . 74.14 111.788 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.564 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -74.11 -37.3 64.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.692 0.282 . . . . 74.2 111.235 -179.578 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.582 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 50.0 mt -62.25 -28.96 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 72.5 110.818 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.814 HG21 ' CE ' ' A' ' 58' ' ' MET . 70.6 mt -84.16 -36.07 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.013 0.435 . . . . 73.01 110.942 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -77.88 -32.55 51.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.734 -0.667 . . . . 75.53 111.161 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -82.68 -54.46 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 72.53 111.404 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -72.31 -8.42 54.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.541 -0.3 . . . . 71.11 111.094 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt 65.69 60.81 0.7 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.842 0.354 . . . . 74.11 110.418 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.737 ' HB2' HG23 ' A' ' 51' ' ' ILE . 72.6 mt -95.26 -175.74 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 75.54 110.587 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' H ' ' HB3' ' A' ' 63' ' ' HIS . 1.0 OUTLIER -152.76 106.14 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.431 -0.349 . . . . 70.12 110.692 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.814 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -61.92 -11.53 13.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 34.55 111.713 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 ttt -79.46 -20.63 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.729 0.299 . . . . 74.53 110.692 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.49 132.04 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.54 110.564 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.05 -29.83 71.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 75.0 111.172 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -65.32 -35.59 81.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 72.21 110.879 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.414 ' HB3' ' H ' ' A' ' 57' ' ' ASN . 35.1 m170 -85.17 -36.21 21.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 60.41 110.723 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HA ' HH11 ' A' ' 64' ' ' ARG . 1.1 tpt85 -57.86 -42.29 84.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.4 110.412 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.689 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -68.18 -17.32 64.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.829 -0.623 . . . . 61.24 110.782 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.493 HD22 HD11 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -68.06 -43.78 77.85 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.668 -0.413 . . . . 65.44 109.931 179.27 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD21 ' CG1' ' A' ' 51' ' ' ILE . 2.7 mm? -62.59 -47.8 82.21 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.615 -0.513 . . . . 63.34 109.615 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 7.0 pt-20 -60.91 -22.17 64.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.877 -0.601 . . . . 75.24 109.972 178.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -76.41 -47.73 22.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.833 -0.621 . . . . 75.11 110.164 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.68 -37.99 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.867 -0.606 . . . . 62.35 110.654 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.804 ' HE1' HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -47.39 -39.37 15.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.317 -0.401 . . . . 72.11 110.9 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.776 HG13 ' HB2' ' A' ' 76' ' ' PHE . 93.7 t -58.23 -58.07 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.131 0.491 . . . . 73.42 110.396 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -51.22 -20.74 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.852 -0.613 . . . . 64.34 111.479 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -95.79 -49.48 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.784 0.29 . . . . 74.22 111.784 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.22 -46.35 4.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.333 0.494 . . . . 74.13 112.333 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.776 ' HB2' HG13 ' A' ' 72' ' ' VAL . 48.1 m-85 -96.95 28.84 3.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.322 -0.399 . . . . 73.34 112.024 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.7 tm-20 -66.37 50.02 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.74 -0.663 . . . . 71.23 111.138 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 111.231 -0.748 . . . . 72.21 111.231 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.436 HG23 ' C ' ' A' ' 15' ' ' ALA . 5.9 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.81 0.338 . . . . 75.42 110.988 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.5 pt -82.32 179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.163 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 10.8 t80 -112.19 96.69 6.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.518 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 19.3 t -59.21 150.23 26.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 65.22 110.789 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.567 HG22 HD13 ' A' ' 35' ' ' ILE . 14.3 t -101.51 -22.05 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.334 . . . . 73.23 110.892 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 29.3 t80 -74.16 -47.71 34.06 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.824 -0.435 . . . . 73.04 109.824 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' ' 38' ' ' GLU . 3.8 mt -89.02 -17.39 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.664 -0.698 . . . . 73.11 110.891 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 62.5 39.98 11.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 71.4 110.215 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -138.91 -169.63 2.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.769 -0.65 . . . . 73.2 110.109 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.4 tt0 -109.84 113.94 27.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.442 -0.344 . . . . 65.42 110.679 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' C ' HG23 ' A' ' 5' ' ' THR . . . -134.5 168.41 19.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 54.41 111.541 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -55.88 167.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.893 -0.594 . . . . 72.43 111.062 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.32 152.69 17.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.678 -0.772 . . . . 53.22 112.371 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 10.2 mp0 -69.47 161.43 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 62.42 110.89 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -90.89 -34.29 15.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 63.02 110.963 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -139.73 153.26 47.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 75.5 111.144 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.44 ' OE1' ' HG3' ' A' ' 29' ' ' LYS . 10.4 tt0 -68.13 118.77 11.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 75.54 110.948 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.674 HD12 ' NE1' ' A' ' 40' ' ' TRP . 13.5 mt -81.21 -34.03 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 71.53 110.42 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.616 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -98.16 165.23 15.69 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 71.5 109.923 179.185 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 10.9 Cg_endo -94.31 -172.38 0.28 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 123.033 2.489 . . . . 65.33 113.595 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.47 -142.86 1.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.255 -0.884 . . . . 62.31 114.116 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -80.9 -38.4 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.527 -0.337 . . . . 61.3 111.183 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.895 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -50.27 -54.32 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 70.03 110.659 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.801 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -57.85 -31.52 64.61 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.173 -1.013 . . . . 70.33 111.549 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -63.1 -55.57 24.26 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.161 -0.311 . . . . 74.43 110.161 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 12.2 ptp180 -60.46 -40.77 92.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.162 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.895 HD11 HD12 ' A' ' 27' ' ' LEU . 10.1 mt -60.88 -62.99 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-O 121.539 0.685 . . . . 73.55 109.693 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -56.87 -18.36 12.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.844 -1.071 . . . . 75.01 110.703 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.8 m-80 -96.9 -58.85 1.93 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.005 0.742 . . . . 73.34 113.005 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 5.7 mm-40 -94.89 -17.46 22.02 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.01 0.745 . . . . 71.44 113.01 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.567 HD13 HG22 ' A' ' 9' ' ' THR . 22.1 mm -103.26 100.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.185 0.517 . . . . 72.42 111.337 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 m -64.15 172.11 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.592 -0.731 . . . . 70.31 110.768 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -31.03 71.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.313 -0.403 . . . . 71.22 111.045 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HB3' HD11 ' A' ' 11' ' ' LEU . 2.1 tt0 -61.69 -41.0 96.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 72.33 110.785 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -79.82 -43.67 21.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 63.44 111.104 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.696 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.8 t-105 -55.43 -35.51 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.975 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.0 -50.7 69.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 53.14 110.118 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.88 -36.12 64.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 75.14 110.324 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.721 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 36.7 t-105 -68.92 -58.31 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 55.12 110.699 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.18 -42.56 14.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.304 -0.407 . . . . 74.45 110.751 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -66.5 -31.91 72.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 61.45 110.141 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 4.3 tptp -83.07 -26.54 31.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.99 -0.55 . . . . 74.13 110.207 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' TRP . 4.8 tt0 -66.57 -50.01 64.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.502 . . . . 75.45 110.811 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.4 t -56.74 -43.47 80.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.593 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 6.4 ptp -70.86 -38.54 73.14 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 121.117 -0.233 . . . . 74.2 111.137 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.648 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 31.9 mt -58.4 -42.31 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.0 0.429 . . . . 72.5 110.323 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.746 HG23 ' HB2' ' A' ' 56' ' ' LEU . 85.4 mt -69.94 -36.78 70.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.081 -0.509 . . . . 73.01 111.592 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -73.27 -48.1 37.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.416 -0.356 . . . . 75.53 111.105 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.65 -53.81 14.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.473 -0.33 . . . . 72.53 110.96 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.21 -15.06 61.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.797 0.332 . . . . 71.11 110.854 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 66.5 62.54 0.54 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.284 -0.416 . . . . 74.11 110.961 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.746 ' HB2' HG23 ' A' ' 51' ' ' ILE . 63.6 mt -91.97 -170.45 2.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.505 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.88 101.59 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 70.12 110.79 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.712 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -58.9 -18.31 32.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 34.55 111.462 -179.624 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtm -79.29 -19.44 50.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 74.53 110.698 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -102.83 118.81 37.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 73.54 110.66 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -55.71 -27.78 52.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 75.0 111.208 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -65.97 -36.67 83.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.41 -0.359 . . . . 72.21 110.792 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -85.45 -42.78 14.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.226 -0.443 . . . . 60.41 110.856 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.545 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.94 -43.11 63.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 71.4 110.556 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -64.48 -24.09 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 61.24 110.317 179.192 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.615 HD22 HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -59.78 -48.66 80.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.236 -0.438 . . . . 65.44 110.379 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.721 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 3.8 mm? -53.92 -47.13 71.51 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.439 -0.578 . . . . 63.34 109.439 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.499 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 6.4 tt0 -55.32 -23.7 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.533 -0.758 . . . . 75.24 110.183 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -80.44 -50.0 10.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.993 -0.549 . . . . 75.11 110.892 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.19 -32.74 67.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 62.35 111.079 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.546 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -53.44 -48.28 68.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.494 -0.321 . . . . 72.11 110.707 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.814 HG13 ' HB2' ' A' ' 76' ' ' PHE . 93.3 t -52.1 -57.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 73.42 110.639 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -52.92 -19.25 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.18 -0.463 . . . . 64.34 111.112 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.445 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 36.4 t80 -94.78 -52.36 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.637 0.256 . . . . 74.22 111.352 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -102.2 -45.95 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.499 0.555 . . . . 74.13 112.499 -178.642 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.814 ' HB2' HG13 ' A' ' 72' ' ' VAL . 48.6 m-85 -96.43 28.65 3.22 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.577 0.584 . . . . 73.34 112.577 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -66.09 36.54 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 111.892 0.33 . . . . 71.23 111.892 -179.55 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 111.889 -0.484 . . . . 72.21 111.889 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 120.906 0.384 . . . . 74.34 111.436 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.54 35.11 4.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 74.12 112.595 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -132.78 105.39 7.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.788 0.328 . . . . 63.22 110.862 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.29 87.13 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.15 111.041 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.4 HG22 ' HG2' ' A' ' 14' ' ' GLU . 3.5 m -133.88 96.08 3.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.962 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ALA . 23.4 pt -79.6 -176.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 72.21 111.15 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 32.4 t80 -122.27 99.14 6.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.895 -0.593 . . . . 72.41 109.793 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 23.5 t -58.96 148.83 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 65.22 111.205 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.585 HG22 HD13 ' A' ' 35' ' ' ILE . 15.3 t -98.42 -26.47 14.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.674 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -74.62 -42.45 58.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.166 -0.47 . . . . 73.04 110.051 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -91.44 -18.96 23.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.807 -0.633 . . . . 73.11 110.397 179.248 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 60.49 41.78 15.29 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.112 -0.495 . . . . 71.4 110.279 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.64 -173.13 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 73.2 110.133 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.6 tt0 -104.45 111.94 24.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 65.42 110.848 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . -113.56 179.61 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 54.41 111.095 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.62 -11.24 59.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 72.43 111.456 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.06 174.44 1.9 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.685 -0.769 . . . . 53.22 112.471 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.509 ' HG3' ' HG3' ' A' ' 37' ' ' LYS . 8.7 mp0 -88.6 178.74 6.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 62.42 111.146 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.45 -24.47 7.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 63.02 111.378 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -139.98 138.69 35.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 75.5 111.025 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 30.5 tt0 -61.58 132.02 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.991 -0.55 . . . . 75.54 111.017 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.6 mt -99.51 -42.55 6.88 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.082 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.647 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -88.31 164.67 32.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.623 -0.51 . . . . 71.5 109.623 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 25.9 Cg_endo -87.19 -178.86 2.61 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.5 2.133 . . . . 65.33 113.263 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.23 -141.28 1.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.195 -0.912 . . . . 62.31 114.694 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.51 -38.38 34.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.108 -0.546 . . . . 61.3 111.146 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.884 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -47.88 -54.18 13.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 70.03 110.365 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.676 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -58.5 -28.4 62.28 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.258 -0.972 . . . . 70.33 111.699 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -64.91 -58.26 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.558 0.218 . . . . 74.43 110.688 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -55.77 -40.06 72.1 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 116.584 -0.28 . . . . 74.43 111.039 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.884 HD11 HD12 ' A' ' 27' ' ' LEU . 8.9 mt -63.42 -56.8 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.566 0.698 . . . . 73.55 109.432 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -60.08 -18.24 45.51 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.776 -1.102 . . . . 75.01 110.426 178.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.4 m-80 -99.16 -57.91 2.06 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.971 0.73 . . . . 73.34 112.971 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.5 mm-40 -94.82 -19.18 20.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.96 0.726 . . . . 71.44 112.96 -177.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.585 HD13 HG22 ' A' ' 9' ' ' THR . 17.4 mm -103.15 97.57 5.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.975 0.417 . . . . 72.42 110.536 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.0 t -61.82 172.01 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 70.31 111.143 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HG3' ' HG3' ' A' ' 18' ' ' GLN . 42.7 mttt -59.45 -37.81 79.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 71.22 110.829 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -46.97 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.844 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.58 88.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.942 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.509 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 20.0 t-105 -62.68 -37.0 84.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 72.4 110.751 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 -20.72 66.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 53.14 110.921 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.06 -28.44 29.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 75.14 110.374 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 14.2 t-105 -84.87 -52.89 5.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 55.12 110.245 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -45.14 -41.87 8.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.246 -0.433 . . . . 74.45 111.079 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -63.56 -43.52 96.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 61.45 110.452 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.482 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.46 -23.12 50.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.415 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' TRP . 31.8 tt0 -68.75 -55.7 10.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.273 -0.421 . . . . 75.45 111.13 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.2 t -52.47 -39.74 61.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 74.14 111.862 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -78.82 -33.22 46.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.65 0.262 . . . . 74.2 111.053 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 22.5 mt -63.8 -32.68 74.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.976 0.417 . . . . 72.5 110.391 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.019 HD11 HD11 ' A' ' 67' ' ' LEU . 77.3 mt -74.88 -36.04 38.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.975 -0.557 . . . . 73.01 110.904 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -77.95 -35.16 50.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 75.53 111.137 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.89 -54.2 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.458 -0.337 . . . . 72.53 111.171 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' NZ ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.95 -6.63 50.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.345 . . . . 71.11 111.14 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 62.77 59.18 1.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.993 0.425 . . . . 74.11 110.581 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.826 HD21 HD22 ' A' ' 66' ' ' LEU . 55.6 mt -87.38 -174.2 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 75.54 110.583 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 3.9 t30 -160.17 103.14 1.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.921 0.391 . . . . 70.12 110.439 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.802 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -60.41 -18.87 53.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.572 . . . . 34.55 111.407 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -25.0 40.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.758 0.313 . . . . 74.53 110.691 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -94.8 137.24 34.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 73.54 110.565 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -70.71 -29.81 66.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.26 -37.78 88.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 72.21 111.197 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -85.38 -42.85 14.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 60.41 110.738 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 2.3 tpt180 -46.27 -53.27 11.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 71.4 110.721 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -61.66 -27.06 68.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.951 -0.568 . . . . 61.24 110.443 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.826 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -66.37 -45.12 81.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 65.44 110.474 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.019 HD11 HD11 ' A' ' 51' ' ' ILE . 1.7 mt -56.83 -52.27 65.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.078 0.466 . . . . 63.34 109.916 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.7 tm-20 -54.9 -23.76 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.576 -0.738 . . . . 75.24 110.396 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 66' ' ' LEU . 6.7 tm0? -75.36 -46.73 31.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.139 -0.482 . . . . 75.11 110.692 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.93 -51.23 62.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 62.35 111.209 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.52 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -44.68 -44.23 8.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.52 -0.309 . . . . 72.11 111.296 -179.517 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.798 HG13 ' HB2' ' A' ' 76' ' ' PHE . 58.1 t -53.72 -59.29 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.888 0.375 . . . . 73.42 110.868 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -51.16 -20.73 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 64.34 111.475 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -95.21 -49.26 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.526 -0.306 . . . . 74.22 111.567 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.43 HD12 ' HG3' ' A' ' 71' ' ' MET . 0.2 OUTLIER -103.32 -49.89 3.61 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.517 0.562 . . . . 74.13 112.517 -178.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.798 ' HB2' HG13 ' A' ' 72' ' ' VAL . 61.8 m-85 -93.94 28.53 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.62 0.6 . . . . 73.34 112.62 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.8 OUTLIER -68.02 59.28 0.07 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.914 -0.585 . . . . 71.23 110.767 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -168.41 -38.33 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.814 -0.63 . . . . 72.21 112.582 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -51.03 4.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 73.2 110.873 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 56.24 32.34 20.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.03 111.487 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -85.28 110.97 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 120.913 0.387 . . . . 70.23 111.165 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -119.35 122.14 41.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 72.21 110.723 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.4 mm -128.25 143.91 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 64.22 111.224 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.6 102.6 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 55.3 110.652 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.29 44.31 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.665 -0.779 . . . . 74.03 112.378 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -88.44 123.3 32.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 70.14 110.862 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.7 p -145.9 94.61 4.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.1 110.757 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.68 126.46 22.52 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.491 2.127 . . . . 70.12 112.292 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.7 -41.77 20.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 73.11 110.886 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.7 -40.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 74.42 111.143 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -130.62 168.64 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 51.34 111.184 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.4 tptt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.926 -0.579 . . . . 74.24 110.979 179.779 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.743 0.306 . . . . 74.34 111.319 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.7 80.78 0.25 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.667 -0.778 . . . . 74.12 112.52 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p -152.87 141.21 20.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.347 . . . . 63.22 111.021 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.15 141.2 32.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.066 -0.516 . . . . 75.15 110.687 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.561 HG22 ' H ' ' A' ' 6' ' ' ILE . 1.5 m -108.68 177.27 4.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.735 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.561 ' H ' HG22 ' A' ' 5' ' ' THR . 5.1 pt -145.49 170.36 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.457 -0.338 . . . . 72.21 110.42 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -105.49 95.82 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.416 -0.357 . . . . 72.41 110.243 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 28.8 t -61.93 150.56 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 65.22 110.678 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.602 HG22 HD13 ' A' ' 35' ' ' ILE . 12.7 t -100.63 -22.26 15.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.865 0.364 . . . . 73.23 110.589 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -74.39 -47.36 34.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.985 -0.552 . . . . 73.04 110.092 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.65 -17.18 30.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 73.11 110.362 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 61.04 41.0 14.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.146 0.498 . . . . 71.4 110.312 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -143.79 -170.26 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.475 -0.784 . . . . 73.2 109.693 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 5.9 tt0 -104.83 103.83 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.986 0.422 . . . . 65.42 110.761 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' HG13 ' A' ' 6' ' ' ILE . . . -122.44 165.1 16.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.933 -0.576 . . . . 54.41 110.995 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 -57.41 158.72 5.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.466 -0.334 . . . . 72.43 110.752 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.47 173.98 15.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.762 . . . . 53.22 112.356 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -97.77 152.53 19.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 62.42 110.892 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -99.01 -21.25 16.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 63.02 111.177 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -127.04 126.09 42.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 75.5 111.04 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -60.33 133.18 55.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.703 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mt -92.4 -42.37 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.556 . . . . 71.53 110.697 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.657 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -93.78 165.65 17.52 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.685 -0.487 . . . . 71.5 109.685 178.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.645 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 16.7 Cg_endo -92.21 -170.54 0.31 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.868 2.379 . . . . 65.33 112.872 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.46 -143.52 0.59 Allowed Glycine 0 C--N 1.33 0.201 0 CA-C-N 115.479 -0.782 . . . . 62.31 114.446 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -80.33 -37.3 32.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.126 -0.537 . . . . 61.3 111.364 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.985 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -51.5 -52.99 42.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 70.03 110.362 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.883 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -55.85 -32.32 58.99 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.279 -0.962 . . . . 70.33 111.51 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -60.51 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.627 0.251 . . . . 74.43 110.446 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.616 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 1.9 ptp180 -56.74 -39.71 74.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.305 -0.407 . . . . 74.43 111.47 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.985 HD11 HD12 ' A' ' 27' ' ' LEU . 5.5 mt -63.54 -60.8 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 121.526 0.679 . . . . 73.55 109.815 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -57.01 -18.29 13.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.03 -0.987 . . . . 75.01 110.617 179.257 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -99.89 -55.3 2.68 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.18 0.807 . . . . 73.34 113.18 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 mm-40 -94.73 -18.12 21.57 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.769 0.655 . . . . 71.44 112.769 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.602 HD13 HG22 ' A' ' 9' ' ' THR . 13.9 mm -103.48 94.14 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.89 0.376 . . . . 72.42 110.766 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.6 p -57.5 170.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.526 . . . . 70.31 111.003 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -60.86 -25.31 66.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 71.22 110.846 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -46.34 75.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 72.33 111.595 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.563 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -71.37 -43.76 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.822 0.304 . . . . 63.44 111.822 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.591 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 58.1 t-105 -54.52 -41.89 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.736 0.303 . . . . 72.4 111.095 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.41 68.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.362 . . . . 53.14 110.796 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -73.77 -38.07 64.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.404 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 15.9 t-105 -68.24 -50.39 54.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 55.12 110.171 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -46.87 -41.57 15.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.415 . . . . 74.45 110.738 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.415 ' O ' HG22 ' A' ' 48' ' ' THR . 49.0 t60 -65.5 -42.02 92.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.866 -0.606 . . . . 61.45 110.746 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 49' ' ' MET . 6.5 tptt -80.06 -19.73 46.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.697 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' TRP . 9.1 tt0 -69.28 -55.73 9.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.274 -0.421 . . . . 75.45 110.764 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 45' ' ' HIS . 11.6 t -49.5 -42.44 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 74.14 111.8 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -75.51 -35.53 60.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 74.2 110.78 -179.61 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.652 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 19.4 mt -62.84 -27.73 69.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.383 . . . . 72.5 110.296 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.069 HD11 HD11 ' A' ' 67' ' ' LEU . 50.9 mt -84.53 -44.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 73.01 110.846 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -68.28 -35.56 78.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.954 -0.566 . . . . 75.53 111.443 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.39 -49.57 9.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.415 -0.357 . . . . 72.53 111.763 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.652 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -73.93 -9.41 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.677 0.275 . . . . 71.11 110.87 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mttm 64.53 55.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.978 0.418 . . . . 74.11 110.628 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.97 ' HB2' HG23 ' A' ' 51' ' ' ILE . 44.3 mt -84.04 -171.97 3.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 75.54 110.376 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -160.12 96.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.414 -0.357 . . . . 70.12 110.631 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.863 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.84 -20.22 34.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 34.55 111.32 -179.587 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.7 mtt -81.3 10.77 5.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.56 -0.291 . . . . 74.53 111.558 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -138.9 128.16 24.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.351 . . . . 73.54 110.721 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.98 -24.94 63.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.243 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.63 -45.35 87.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 72.21 111.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -85.41 -34.87 21.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.937 0.398 . . . . 60.41 110.556 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -48.26 -48.31 35.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.011 -0.54 . . . . 71.4 110.373 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -66.22 -30.86 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.798 -0.637 . . . . 61.24 110.137 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -49.03 69.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 65.44 110.76 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.069 HD11 HD11 ' A' ' 51' ' ' ILE . 4.4 mt -58.4 -46.09 87.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 63.34 110.401 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.506 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -53.19 -21.79 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.79 -0.641 . . . . 75.24 110.495 179.353 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.92 -52.26 6.86 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.112 -0.494 . . . . 75.11 111.418 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' OE1' HD22 ' A' ' 50' ' ' LEU . 5.6 mt-10 -61.52 -42.05 98.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.462 -0.335 . . . . 62.35 111.175 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -48.53 -45.57 37.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 72.11 111.17 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.82 HG13 ' HB2' ' A' ' 76' ' ' PHE . 93.3 t -51.29 -57.01 3.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.924 0.392 . . . . 73.42 110.262 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 20.9 t-20 -51.39 -20.68 1.87 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.89 -0.596 . . . . 64.34 111.114 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -95.46 -51.43 4.56 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.407 -0.36 . . . . 74.22 111.937 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.03 -44.72 5.14 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.62 0.6 . . . . 74.13 112.62 -178.353 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.82 ' HB2' HG13 ' A' ' 72' ' ' VAL . 56.2 m-85 -97.43 28.72 3.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.008 0.432 . . . . 73.34 112.127 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' VAL . 73.4 tt0 -67.31 59.29 0.05 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.518 -0.765 . . . . 71.23 111.083 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -168.15 -36.31 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.913 -0.661 . . . . 72.21 112.379 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.72 -54.98 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 73.2 111.042 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 56.38 52.01 10.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 72.03 110.868 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.51 73.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 70.23 111.278 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.493 ' O ' HD13 ' A' ' 83' ' ' ILE . 11.1 m170 -110.68 151.23 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.876 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 82' ' ' HIS . 23.1 mm -126.18 127.29 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 64.22 111.095 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.26 125.02 10.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.511 . . . . 55.3 110.565 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.55 13.23 62.82 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.536 -0.84 . . . . 74.03 112.426 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -92.57 137.78 32.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.681 0.276 . . . . 70.14 110.572 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 87' ' ' THR . 5.3 t -136.0 94.7 14.2 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.447 -0.342 . . . . 74.1 111.302 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.81 134.84 24.57 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.453 2.102 . . . . 70.12 112.225 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.15 -34.67 75.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 73.11 110.954 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -168.05 167.08 12.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 74.42 110.772 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -153.31 146.45 24.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 51.34 110.981 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.9 pttm . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.24 111.083 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 120.921 0.391 . . . . 74.34 110.705 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.55 26.48 11.83 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.901 -0.666 . . . . 74.12 112.154 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -133.28 141.9 48.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.724 0.297 . . . . 63.22 110.699 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -61.97 163.66 7.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 75.15 110.724 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -113.81 113.74 25.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.398 . . . . 75.42 110.391 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' CG1' ' O ' ' A' ' 15' ' ' ALA . 30.3 pt -80.47 -176.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.047 0.451 . . . . 72.21 111.594 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 21.5 t80 -117.15 100.36 7.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 72.41 109.802 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 35.4 t -60.82 146.56 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.429 -0.351 . . . . 65.22 110.442 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.618 HG22 HD13 ' A' ' 35' ' ' ILE . 12.1 t -98.84 -23.73 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.662 0.268 . . . . 73.23 110.863 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 55.2 t80 -74.56 -43.91 53.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.997 0.427 . . . . 73.04 110.014 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.0 -16.05 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 73.11 110.624 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 60.75 40.74 15.77 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.033 0.445 . . . . 71.4 110.241 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -142.31 -167.28 2.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 73.2 110.345 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 6.5 tt0 -106.44 123.83 48.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 65.42 110.49 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' O ' ' CG1' ' A' ' 6' ' ' ILE . . . -150.3 164.33 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.373 . . . . 54.41 111.339 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.41 168.39 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 72.43 111.056 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -124.63 152.0 17.4 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.725 -0.75 . . . . 53.22 112.443 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -57.9 179.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.805 0.336 . . . . 62.42 111.012 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -116.84 -28.79 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 63.02 111.325 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -136.94 136.45 38.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 75.5 111.187 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 43.0 tt0 -59.33 124.81 21.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.938 -0.573 . . . . 75.54 110.77 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 mt -89.81 -46.47 8.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 71.53 111.162 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.63 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -83.59 169.33 17.66 Favored Pre-proline 0 C--N 1.331 -0.213 0 N-CA-C 109.493 -0.558 . . . . 71.5 109.493 178.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.572 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 13.3 Cg_endo -92.37 179.04 1.36 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.743 2.295 . . . . 65.33 113.119 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.02 -142.71 1.69 Allowed Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.45 -0.796 . . . . 62.31 114.894 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 1.4 tp10 -79.14 -39.68 32.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.915 -0.642 . . . . 61.3 111.564 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.737 ' HG ' ' HG3' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -49.96 -49.72 49.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.974 0.416 . . . . 70.03 110.623 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.707 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -58.9 -33.35 73.27 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.175 -1.012 . . . . 70.33 112.116 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -58.56 -52.54 65.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.691 0.281 . . . . 74.43 111.077 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.723 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.3 ptp180 -59.15 -36.29 74.99 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.598 -0.274 . . . . 74.43 111.149 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.728 HD11 HD12 ' A' ' 27' ' ' LEU . 6.9 mt -66.52 -52.15 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-O 121.575 0.703 . . . . 73.55 109.418 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -18.38 64.22 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.862 -1.063 . . . . 75.01 110.034 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -100.64 -52.67 3.27 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.809 1.04 . . . . 73.34 113.809 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.5 mt-10 -98.69 -15.25 19.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.435 0.902 . . . . 71.44 113.435 -177.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.618 HD13 HG22 ' A' ' 9' ' ' THR . 25.0 mm -105.41 105.1 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.016 0.436 . . . . 72.42 111.483 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.6 p -62.91 167.42 4.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.939 -0.573 . . . . 70.31 110.83 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -60.17 -29.21 68.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.045 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.62 -44.13 67.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.463 -0.335 . . . . 72.33 111.287 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -66.91 -34.58 78.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.447 -0.342 . . . . 63.44 110.973 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.499 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.8 t-105 -64.38 -32.69 74.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.539 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.42 64.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 53.14 110.951 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.39 -35.54 25.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.106 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.663 ' CB ' HD11 ' A' ' 75' ' ' LEU . 16.9 t-105 -74.6 -52.43 11.81 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.074 -0.512 . . . . 55.12 110.1 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -43.77 -40.34 4.28 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.178 -0.464 . . . . 74.45 110.631 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.566 ' O ' HG22 ' A' ' 48' ' ' THR . 66.8 t60 -64.41 -47.9 77.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.708 -0.678 . . . . 61.45 110.289 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 4.0 tptt -72.38 -25.77 61.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.989 -0.55 . . . . 74.13 110.7 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -66.45 -56.58 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.96 0.41 . . . . 75.45 110.775 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 45' ' ' HIS . 12.9 t -50.24 -39.95 46.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 74.14 111.855 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 4.3 ptm -78.22 -42.67 30.64 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.97 -0.292 . . . . 74.2 110.817 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 23.9 mt -54.84 -26.17 33.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 72.5 110.587 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 67' ' ' LEU . 62.0 mt -84.53 -42.26 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 73.01 110.854 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -73.48 -36.01 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.928 -0.578 . . . . 75.53 111.383 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -52.77 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 72.53 111.385 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -77.6 -5.89 51.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.74 0.305 . . . . 71.11 111.019 179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.9 mttt 62.09 62.58 1.19 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.879 0.371 . . . . 74.11 110.716 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.804 ' HB2' HG23 ' A' ' 51' ' ' ILE . 37.6 mt -90.11 -174.28 4.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.984 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -158.36 100.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 70.12 110.635 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.868 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.23 -15.85 49.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.827 -0.624 . . . . 34.55 111.831 -179.498 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -7.29 58.69 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.077 -0.249 . . . . 74.53 111.113 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.89 130.1 53.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.345 . . . . 73.54 110.718 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -58.69 -30.04 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.372 . . . . 75.0 110.943 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -58.46 -45.12 89.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.028 -0.533 . . . . 72.21 111.528 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -85.11 -36.99 20.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 60.41 110.466 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -50.57 -49.2 56.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 71.4 110.724 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -66.63 -24.85 66.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 61.24 110.848 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.432 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -65.24 -50.06 67.29 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.025 -0.361 . . . . 65.44 110.025 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.051 HD11 HD11 ' A' ' 51' ' ' ILE . 4.3 mt -52.87 -43.75 66.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.275 0.56 . . . . 63.34 109.596 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.737 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 3.0 tt0 -53.47 -24.67 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.282 -0.872 . . . . 75.24 110.344 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.88 -45.08 29.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 75.11 110.71 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -67.88 -49.14 63.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 62.35 111.697 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.449 ' HA ' ' CE3' ' A' ' 43' ' ' TRP . 3.3 ptm -43.93 -37.49 2.91 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.546 -0.297 . . . . 72.11 111.538 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.759 HG13 ' HB2' ' A' ' 76' ' ' PHE . 72.5 t -63.59 -61.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 73.42 110.735 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 4.8 t-20 -50.38 -19.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 64.34 111.462 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.468 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 25.0 t80 -95.2 -50.02 5.23 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.734 0.272 . . . . 74.22 111.734 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.663 HD11 ' CB ' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -102.74 -46.77 4.61 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.506 0.558 . . . . 74.13 112.506 -178.666 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.759 ' HB2' HG13 ' A' ' 72' ' ' VAL . 81.9 m-85 -95.64 28.38 3.04 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 112.287 0.477 . . . . 73.34 112.287 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 23.2 tt0 -65.53 57.56 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.867 -0.606 . . . . 71.23 111.065 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . 161.33 -31.53 0.34 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.782 -0.723 . . . . 72.21 112.627 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -121.52 99.87 6.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.722 0.296 . . . . 73.2 110.565 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.5 ' CD ' HG11 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -178.93 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 72.03 111.346 -179.743 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 81' ' ' VAL . 8.2 p -79.03 54.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.055 -0.521 . . . . 70.23 111.152 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -123.45 161.17 25.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.409 . . . . 72.21 110.946 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 84' ' ' GLU . 15.5 mt -116.3 158.38 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 64.22 110.933 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -147.14 127.26 13.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 55.3 110.928 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.21 37.95 30.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 74.03 112.315 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.437 ' HD2' HG21 ' A' ' 83' ' ' ILE . 1.8 t80 -69.24 126.96 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 70.14 111.087 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.4 p -121.26 89.18 46.43 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 74.1 110.553 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.46 172.3 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.676 2.251 . . . . 70.12 112.476 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -43.49 73.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 73.11 110.656 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -124.46 121.64 35.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.632 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 120.74 2.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 51.34 110.779 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.73 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.827 0.346 . . . . 74.34 111.178 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.8 -43.52 0.06 OUTLIER Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.658 -0.782 . . . . 74.12 112.462 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.26 137.75 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 63.22 110.87 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -93.82 140.54 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 75.15 110.919 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.748 HG22 ' HG2' ' A' ' 14' ' ' GLU . 1.7 m -130.66 107.44 9.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.924 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 22.1 pt -91.39 -179.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 72.21 111.135 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 1.2 t80 -116.12 97.69 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.435 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 36.8 t -63.08 105.57 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 65.22 111.381 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.431 HG22 ' CD1' ' A' ' 35' ' ' ILE . 7.5 t -60.24 -17.59 42.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 73.23 111.432 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -74.52 -53.17 9.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.921 0.391 . . . . 73.04 110.164 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -88.19 -8.99 54.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 73.11 110.696 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 58.84 41.17 21.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.324 -0.398 . . . . 71.4 110.361 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -143.88 174.89 10.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 73.2 110.273 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.748 ' HG2' HG22 ' A' ' 5' ' ' THR . 3.8 tt0 -95.38 117.08 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.946 0.403 . . . . 65.42 111.383 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.38 175.5 5.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.049 -0.523 . . . . 54.41 111.008 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -18.03 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.446 -0.343 . . . . 72.43 111.822 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.32 -167.9 22.21 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.636 -0.792 . . . . 53.22 112.633 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -113.88 179.67 3.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.793 0.33 . . . . 62.42 110.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.07 -22.3 7.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.231 -0.441 . . . . 63.02 111.54 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -128.9 142.98 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 75.5 111.104 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 25.8 tt0 -71.07 122.61 20.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 75.54 110.431 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 22' ' ' LEU . 6.8 mp -86.22 -36.3 19.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 71.53 111.645 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.637 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -97.79 169.25 8.77 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.475 -0.33 . . . . 71.5 110.165 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.577 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 15.4 Cg_endo -93.39 -170.1 0.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.019 2.479 . . . . 65.33 112.986 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.02 -143.96 0.22 Allowed Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.352 -0.84 . . . . 62.31 114.522 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 2.2 mt-10 -81.35 -34.76 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.237 -0.481 . . . . 61.3 111.148 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.718 HD23 ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -55.25 -47.63 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.783 0.325 . . . . 70.03 110.296 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.637 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -60.81 -31.29 75.25 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.141 -1.028 . . . . 70.33 111.678 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 16.9 mttm -64.73 -53.77 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.297 . . . . 74.43 110.334 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.718 ' HD3' HD23 ' A' ' 27' ' ' LEU . 6.3 ptm180 -58.84 -39.8 82.35 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.29 -0.414 . . . . 74.43 111.315 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.678 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 6.9 mt -65.29 -59.59 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.26 0.552 . . . . 73.55 110.075 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -18.56 56.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.528 -0.76 . . . . 75.01 110.714 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -100.57 -45.41 5.53 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.94 0.718 . . . . 73.34 112.94 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 29.6 mt-10 -100.97 -18.24 16.4 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.695 0.628 . . . . 71.44 112.695 -178.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.702 HG23 ' HB3' ' A' ' 39' ' ' ALA . 9.5 mm -109.14 126.66 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.947 0.403 . . . . 72.42 110.814 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.64 174.18 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 70.31 110.76 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -59.08 -34.99 72.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 71.22 110.859 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.588 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.0 tp10 -58.63 -42.49 88.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.037 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.702 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -79.3 -45.53 19.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 63.44 111.179 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.678 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 66.8 t-105 -55.52 -38.53 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 72.4 110.691 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.72 81.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 53.14 110.299 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -68.6 -29.74 68.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.798 -0.637 . . . . 75.14 110.278 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.54 ' HB2' HD21 ' A' ' 75' ' ' LEU . 23.0 t-105 -72.69 -50.35 25.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.072 -0.513 . . . . 55.12 110.627 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 9.1 mm100 -44.1 -51.75 7.74 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.996 0.427 . . . . 74.45 110.755 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -60.87 -51.96 67.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.878 -0.601 . . . . 61.45 110.54 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 20.4 tptt -66.2 -19.88 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.13 111.08 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.511 ' HG3' HD13 ' A' ' 67' ' ' LEU . 31.9 tt0 -77.89 -56.97 4.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.865 0.364 . . . . 75.45 110.917 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -53.82 -35.33 61.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 74.14 111.601 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.6 -37.29 50.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.328 . . . . 74.2 111.303 -179.579 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 19.0 mt -58.0 -33.36 68.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.401 . . . . 72.5 110.742 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.861 HG23 ' HB2' ' A' ' 56' ' ' LEU . 62.4 mt -73.8 -44.07 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.947 -0.57 . . . . 73.01 111.269 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -72.48 -28.53 62.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.209 -0.45 . . . . 75.53 111.028 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.24 -53.8 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 72.53 111.337 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 4.4 mptt -76.16 -2.2 29.92 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.48 -0.327 . . . . 71.11 111.409 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp 63.46 53.5 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 74.11 111.39 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.861 ' HB2' HG23 ' A' ' 51' ' ' ILE . 63.2 mt -88.69 174.88 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.415 -0.357 . . . . 75.54 110.218 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -150.39 105.1 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.963 0.411 . . . . 70.12 110.652 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.714 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -55.95 -22.58 27.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 34.55 111.315 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.0 0.48 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.518 -0.31 . . . . 74.53 111.147 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -119.18 137.07 53.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.304 . . . . 73.54 110.723 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.98 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.415 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -35.15 76.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 72.21 111.261 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -85.41 -39.58 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 60.41 111.066 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -49.75 -52.06 34.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.761 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -64.2 -29.03 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 61.24 110.811 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.767 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -60.79 -46.4 90.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.354 . . . . 65.44 110.8 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.844 HD11 HD11 ' A' ' 51' ' ' ILE . 1.4 mt -59.81 -44.15 94.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.965 0.412 . . . . 63.34 110.248 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 9.7 mt-10 -56.85 -23.47 44.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.95 -0.568 . . . . 75.24 109.841 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -47.53 16.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.586 -0.734 . . . . 75.11 110.584 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.448 ' OE1' HD22 ' A' ' 50' ' ' LEU . 3.2 mm-40 -60.16 -43.08 96.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.959 -0.564 . . . . 62.35 111.204 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 6.0 ptm -47.85 -35.51 10.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.39 -0.368 . . . . 72.11 111.381 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.825 HG13 ' HB2' ' A' ' 76' ' ' PHE . 98.9 t -63.14 -58.27 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 121.138 0.494 . . . . 73.42 109.845 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 53.2 t30 -49.7 -21.39 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 64.34 111.293 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -95.62 -49.1 5.53 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.422 -0.354 . . . . 74.22 111.875 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.23 -39.7 6.73 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.977 0.732 . . . . 74.13 112.977 -178.38 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.825 ' HB2' HG13 ' A' ' 72' ' ' VAL . 97.0 m-85 -105.9 28.5 7.52 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.089 0.403 . . . . 73.34 112.089 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.2 tt0 -65.84 58.35 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.905 -0.589 . . . . 71.23 111.293 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -175.77 -43.34 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.68 -0.771 . . . . 72.21 113.051 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.466 ' HB3' HG23 ' A' ' 81' ' ' VAL . 5.4 mmtt -73.65 -40.85 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 73.2 111.013 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 55.1 44.57 27.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 72.03 111.371 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 79' ' ' LYS . 3.3 t -91.27 30.57 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 116.286 -0.415 . . . . 70.23 111.233 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.632 ' CE1' HG11 ' A' ' 72' ' ' VAL . 33.3 p-80 -114.75 84.48 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 72.21 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.8 mt -94.03 132.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 64.22 111.135 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -133.97 173.14 11.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 55.3 110.756 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.15 -6.83 78.02 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.674 -0.774 . . . . 74.03 112.557 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.9 127.55 32.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.359 . . . . 70.14 110.81 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 t -134.07 84.37 42.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 74.1 110.828 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -84.54 15.77 2.11 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.777 2.318 . . . . 70.12 112.922 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -78.21 -28.45 48.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.829 0.347 . . . . 73.11 110.975 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.91 150.72 51.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 74.42 110.894 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -91.03 69.06 6.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 51.34 110.819 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.499 . . . . 74.24 111.059 -179.794 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 120.855 0.359 . . . . 74.34 111.299 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.22 -26.03 0.48 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 74.12 112.51 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -115.18 113.14 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.947 0.403 . . . . 63.22 110.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -96.4 160.59 14.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.747 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 m -109.18 119.34 39.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 75.42 110.72 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 pt -80.86 -179.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 72.21 111.04 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.494 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 3.6 t80 -116.21 100.3 7.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.27 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 18.2 t -62.28 146.15 51.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 65.22 110.738 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.56 HG22 HD13 ' A' ' 35' ' ' ILE . 14.5 t -96.36 -22.22 17.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.455 -0.338 . . . . 73.23 110.633 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 37.0 t80 -74.56 -45.57 44.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 73.04 110.187 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.4 -13.47 32.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 73.11 110.619 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 58.63 42.48 20.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.043 0.449 . . . . 71.4 110.193 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -143.7 -173.28 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.868 -0.606 . . . . 73.2 110.383 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 1.9 tt0 -103.15 115.76 31.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.4 -0.364 . . . . 65.42 110.712 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.05 171.61 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 54.41 111.34 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.63 -177.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.632 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.03 -176.65 14.5 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.759 . . . . 53.22 112.496 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.28 155.88 17.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 62.42 111.063 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.93 -26.85 28.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 63.02 111.546 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -150.26 143.95 25.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.39 . . . . 75.5 111.346 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 38.6 tt0 -60.43 120.69 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 75.54 110.672 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.0 -43.83 14.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 71.53 111.147 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.66 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -88.49 165.16 29.51 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.44 -0.345 . . . . 71.5 110.09 179.551 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.66 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.8 Cg_endo -92.03 -172.88 0.44 Allowed 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.847 2.364 . . . . 65.33 113.11 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.29 -142.97 0.61 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.163 -0.926 . . . . 62.31 114.452 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 1.4 tt0 -81.16 -34.38 32.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.21 -0.495 . . . . 61.3 111.71 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.997 HD12 HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -54.1 -50.72 66.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.994 0.426 . . . . 70.03 110.068 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.69 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -57.41 -34.46 68.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.528 -0.844 . . . . 70.33 111.911 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 6.0 mtpm? -62.08 -56.48 18.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.726 0.298 . . . . 74.43 110.698 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 11.7 ptp180 -57.53 -40.01 77.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.414 . . . . 74.43 111.265 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.997 HD11 HD12 ' A' ' 27' ' ' LEU . 7.7 mt -64.31 -61.13 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.438 0.637 . . . . 73.55 109.957 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -18.25 10.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.211 -0.904 . . . . 75.01 110.783 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -99.59 -53.91 3.07 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.056 0.761 . . . . 73.34 113.056 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.9 mm-40 -94.33 -19.51 20.59 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.449 0.537 . . . . 71.44 112.449 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.56 HD13 HG22 ' A' ' 9' ' ' THR . 16.7 mm -103.23 97.19 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.845 0.355 . . . . 72.42 110.594 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.7 p -57.93 174.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.99 -0.55 . . . . 70.31 111.006 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -62.85 -35.38 79.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 71.22 110.882 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -41.42 89.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 72.33 111.261 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.96 -37.25 78.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.367 . . . . 63.44 111.013 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.633 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 24.5 t-105 -65.02 -41.34 95.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.038 -0.528 . . . . 72.4 110.749 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.88 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 53.14 111.044 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -83.4 -27.11 29.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.591 . . . . 75.14 110.607 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.666 ' CB ' HD11 ' A' ' 75' ' ' LEU . 17.7 t-105 -84.16 -46.92 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 55.12 110.578 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 10.6 mm-40 -47.64 -42.02 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.99 0.424 . . . . 74.45 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -66.58 -50.11 64.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.984 -0.553 . . . . 61.45 110.325 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 5.3 tptt -69.97 -19.57 63.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.269 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.778 ' CG ' HD21 ' A' ' 67' ' ' LEU . 2.7 tt0 -78.07 -59.93 2.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.416 . . . . 75.45 111.209 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 t -47.93 -30.11 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 74.14 112.064 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.5 -35.77 53.27 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 121.07 -0.252 . . . . 74.2 111.234 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 81.4 mt -65.97 -42.3 90.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 72.5 110.212 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.862 HG23 ' HB2' ' A' ' 56' ' ' LEU . 37.6 mt -62.39 -42.53 95.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.234 -0.439 . . . . 73.01 110.638 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -74.89 -36.83 62.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 75.53 111.005 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.54 -54.3 6.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 72.53 111.208 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.63 -9.93 59.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 71.11 110.808 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt 63.18 64.46 0.84 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.275 -0.42 . . . . 74.11 111.289 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.054 HD21 HD22 ' A' ' 66' ' ' LEU . 67.0 mt -88.77 -170.26 2.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.39 . . . . 75.54 110.154 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.09 97.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 70.12 110.967 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.655 ' CE ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.48 -19.93 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 34.55 111.451 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -86.03 13.68 7.3 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.574 0.226 . . . . 74.53 111.41 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.32 125.65 17.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.711 0.291 . . . . 73.54 110.585 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.31 -35.55 72.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 75.0 111.305 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -44.78 65.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.231 -0.44 . . . . 72.21 111.163 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -85.08 -39.26 18.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.21 -0.45 . . . . 60.41 110.817 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -48.8 -46.17 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.924 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -65.05 -30.81 71.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 61.24 110.616 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.054 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -54.49 -43.1 71.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.298 -0.41 . . . . 65.44 110.494 179.573 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.778 HD21 ' CG ' ' A' ' 47' ' ' GLN . 1.7 tp -59.5 -43.91 93.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 63.34 109.912 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 3.7 tm-20 -59.55 -20.73 57.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.887 -0.597 . . . . 75.24 110.324 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -80.56 -54.99 5.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.995 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.52 -45.96 84.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 62.35 111.396 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.535 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -45.05 -48.37 11.79 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.899 0.333 . . . . 72.11 111.899 -179.228 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.746 HG13 ' HB2' ' A' ' 76' ' ' PHE . 99.2 t -50.99 -57.98 2.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.955 0.407 . . . . 73.42 110.411 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -21.88 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.854 -0.612 . . . . 64.34 110.963 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.416 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 7.5 t80 -95.0 -52.72 4.1 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.242 0.46 . . . . 74.22 112.242 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 ' CB ' ' A' ' 43' ' ' TRP . 1.5 mt -101.17 -48.61 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.708 0.633 . . . . 74.13 112.708 -178.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.746 ' HB2' HG13 ' A' ' 72' ' ' VAL . 63.3 m-85 -92.04 27.04 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.252 0.464 . . . . 73.34 112.252 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.5 tt0 -68.18 58.59 0.08 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 120.985 0.422 . . . . 71.23 110.435 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . 164.11 -64.69 0.24 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.822 -0.704 . . . . 72.21 112.779 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.46 85.5 7.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 73.2 111.2 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 76' ' ' PHE . 1.5 pp20? -178.81 -35.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 72.03 110.897 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 81' ' ' VAL . 6.4 p -69.67 68.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.769 -0.651 . . . . 70.23 110.801 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.96 163.36 12.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 72.21 111.11 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.5 mm -129.96 114.18 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 64.22 110.896 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -83.79 108.38 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 55.3 110.792 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.92 -33.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 74.03 112.526 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -91.92 158.83 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 70.14 110.984 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.89 115.88 65.84 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.1 110.584 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -68.91 127.25 14.98 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.564 2.176 . . . . 70.12 112.564 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.0 -35.36 23.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.11 110.735 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t0 60.66 83.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 74.42 110.94 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 62.47 166.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 51.34 110.959 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.3 mttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.914 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.864 0.364 . . . . 74.34 111.093 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.81 48.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 74.12 112.524 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -144.12 111.02 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 63.22 110.893 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 tpt85 -106.24 108.33 19.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.15 111.128 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -102.89 115.42 30.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.58 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.6 pt -80.48 -175.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 72.21 111.025 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 31.0 t80 -118.72 97.03 5.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.654 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 17.3 t -59.07 144.16 46.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 65.22 110.27 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.592 HG22 HD13 ' A' ' 35' ' ' ILE . 14.5 t -97.58 -21.44 17.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.061 0.457 . . . . 73.23 110.641 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -74.24 -45.42 48.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.974 -0.557 . . . . 73.04 109.805 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.22 -16.61 32.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.841 -0.618 . . . . 73.11 110.63 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 61.77 40.56 12.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 71.4 110.164 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.31 -172.03 3.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 73.2 110.434 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 12.1 tt0 -103.64 116.13 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 65.42 110.627 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.38 167.27 22.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 54.41 111.247 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -66.46 165.37 14.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.741 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.25 -168.84 12.82 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.706 -0.759 . . . . 53.22 112.447 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.79 176.96 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 62.42 110.921 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.7 -26.88 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 63.02 111.328 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -123.52 130.91 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 75.5 111.145 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 49.9 tt0 -61.22 118.67 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.54 110.448 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.1 mt -80.82 -44.09 19.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 71.53 111.771 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.618 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.29 169.5 12.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 71.5 110.487 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 17.5 Cg_endo -92.3 -172.78 0.42 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.043 2.495 . . . . 65.33 113.053 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.17 -142.78 0.2 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.257 -0.883 . . . . 62.31 114.51 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -81.35 -36.47 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.352 -0.424 . . . . 61.3 111.265 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.795 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -49.71 -52.52 30.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.404 . . . . 70.03 110.401 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.729 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -59.0 -34.25 78.07 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.505 -0.855 . . . . 70.33 112.073 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -54.87 35.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.605 0.24 . . . . 74.43 110.792 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.72 -39.33 80.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.561 -0.29 . . . . 74.43 111.254 -179.816 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.795 HD11 HD12 ' A' ' 27' ' ' LEU . 11.0 mt -63.87 -61.52 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 CA-C-O 121.457 0.646 . . . . 73.55 109.923 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -55.7 -18.19 7.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.965 -1.016 . . . . 75.01 110.172 179.049 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -98.31 -53.43 3.35 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.28 0.844 . . . . 73.34 113.28 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 1.2 mt-10 -94.47 -17.82 22.08 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.057 0.762 . . . . 71.44 113.057 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.592 HD13 HG22 ' A' ' 9' ' ' THR . 19.3 mm -104.4 125.55 59.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.379 . . . . 72.42 110.749 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 p -82.22 179.41 7.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 70.31 111.055 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -68.15 -30.97 70.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.887 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.21 -41.02 77.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 72.33 110.974 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.54 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -74.06 -38.29 63.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 63.44 111.192 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.743 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 61.0 t-105 -63.29 -39.0 93.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 72.4 110.873 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.58 -25.02 67.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 53.14 110.898 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -78.88 -37.31 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.068 -0.515 . . . . 75.14 110.576 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.543 ' CZ2' HD22 ' A' ' 67' ' ' LEU . 24.6 t-105 -69.66 -49.08 57.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 55.12 110.366 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.52 -40.69 5.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.083 0.468 . . . . 74.45 110.656 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -69.38 -49.41 55.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 61.45 110.33 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 2.1 tptm -70.64 -19.48 62.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 74.13 110.774 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' TRP . 2.5 tt0 -75.23 -56.81 4.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.435 . . . . 75.45 111.122 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -56.14 -32.55 64.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 74.14 111.941 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -76.68 -33.11 58.27 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.026 -0.269 . . . . 74.2 110.738 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 36.7 mt -60.84 -54.17 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.939 -0.393 . . . . 72.5 109.939 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.097 HD11 HD11 ' A' ' 67' ' ' LEU . 2.8 mt -56.31 -33.05 36.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 73.01 110.654 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -65.96 -54.66 23.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.052 -0.522 . . . . 75.53 111.092 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.12 -54.35 6.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 72.53 111.513 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -64.42 -14.75 58.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.562 -0.29 . . . . 71.11 111.14 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 63.98 62.13 0.9 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.039 0.447 . . . . 74.11 110.516 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 51' ' ' ILE . 67.7 mt -95.42 -173.47 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.876 -0.602 . . . . 75.54 110.528 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -160.34 101.28 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 70.12 110.954 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.58 ' HE1' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -63.12 -12.44 27.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 34.55 111.377 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -30.04 40.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 74.53 110.519 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -96.05 146.45 24.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 73.54 110.758 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.77 -34.88 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 75.0 111.416 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -54.09 -42.25 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 72.21 111.181 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -85.68 -38.65 18.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 60.41 111.016 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -48.45 -49.35 35.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 71.4 110.926 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -25.03 64.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 61.24 110.703 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -42.34 88.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.796 0.331 . . . . 65.44 110.275 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.097 HD11 HD11 ' A' ' 51' ' ' ILE . 5.6 mt -58.52 -35.27 72.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 63.34 110.058 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' HA ' ' SD ' ' A' ' 71' ' ' MET . 58.7 mt-10 -58.74 -20.37 48.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 75.24 110.246 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -81.01 -51.04 8.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.88 -0.6 . . . . 75.11 111.607 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.05 -48.1 72.17 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.102 0.408 . . . . 62.35 112.102 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.491 ' SD ' ' HA ' ' A' ' 68' ' ' GLU . 4.3 ptm -46.05 -30.7 1.96 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.588 0.233 . . . . 72.11 111.507 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.873 HG13 ' HB2' ' A' ' 76' ' ' PHE . 99.0 t -65.55 -58.74 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 73.42 110.238 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -50.33 -20.28 1.04 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 64.34 111.289 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -95.4 -50.49 4.98 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.37 -0.377 . . . . 74.22 111.879 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -103.08 -45.46 4.93 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.219 0.452 . . . . 74.13 112.219 -178.633 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.873 ' HB2' HG13 ' A' ' 72' ' ' VAL . 37.4 m-85 -96.69 28.32 3.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.94 0.348 . . . . 73.34 111.94 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -68.1 60.76 0.08 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.86 -0.609 . . . . 71.23 110.842 -179.444 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -165.97 -34.76 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.537 -0.756 . . . . 72.21 111.985 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -56.75 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 73.2 110.852 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 54.45 71.67 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.985 0.421 . . . . 72.03 110.401 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.581 ' O ' HG12 ' A' ' 81' ' ' VAL . 12.9 t -86.5 28.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.014 -0.539 . . . . 70.23 111.942 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -114.59 94.23 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 72.21 110.838 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.406 HD12 ' H ' ' A' ' 83' ' ' ILE . 3.5 mp -82.45 138.97 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.01 -0.541 . . . . 64.22 111.223 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -125.66 160.28 30.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 55.3 110.863 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.77 43.11 98.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 74.03 112.431 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -89.22 114.29 25.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 70.14 110.882 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.19 105.83 57.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.9 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.09 117.8 5.27 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.505 2.137 . . . . 70.12 112.351 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.47 -41.39 96.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.32 -0.4 . . . . 73.11 110.655 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -123.95 164.32 19.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 74.42 110.555 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -150.73 99.09 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 51.34 111.091 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 74.24 110.657 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 120.822 0.344 . . . . 74.34 111.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.08 141.98 3.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.812 -0.709 . . . . 74.12 112.458 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.45 147.14 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 63.22 110.792 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.88 158.63 17.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.927 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.739 HG22 ' HG2' ' A' ' 14' ' ' GLU . 6.8 m -134.35 108.13 8.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 75.42 110.727 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 22.7 pt -83.56 -177.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 72.21 111.341 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 13.1 t80 -121.11 96.44 5.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 72.41 110.483 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 32.9 t -59.0 148.65 29.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.94 -0.573 . . . . 65.22 110.818 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.556 HG22 HD13 ' A' ' 35' ' ' ILE . 14.9 t -100.03 -21.65 15.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 73.23 110.915 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 48.7 t80 -74.27 -46.54 40.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.224 -0.444 . . . . 73.04 109.911 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 38' ' ' GLU . 2.0 mt -92.8 -13.48 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 73.11 110.686 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 58.62 41.92 21.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.012 0.434 . . . . 71.4 110.552 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -140.89 -179.8 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.975 -0.557 . . . . 73.2 110.129 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.739 ' HG2' HG22 ' A' ' 5' ' ' THR . 5.6 tt0 -99.57 110.48 22.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.74 0.305 . . . . 65.42 110.844 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.627 ' HB3' ' OG ' ' A' ' 36' ' ' SER . . . -109.94 177.63 4.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 54.41 111.297 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -33.66 72.38 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.23 0.538 . . . . 72.43 110.569 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.63 161.08 36.31 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.298 -0.864 . . . . 53.22 112.676 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -73.47 174.73 7.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.789 0.328 . . . . 62.42 110.814 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.04 -28.35 8.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 63.02 111.176 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' ' 22' ' ' LEU . 21.7 p90 -146.82 148.45 31.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.363 -0.38 . . . . 75.5 111.189 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.91 119.57 9.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 75.54 110.827 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD12 ' NE1' ' A' ' 40' ' ' TRP . 27.7 mt -87.32 -40.58 14.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 71.53 111.056 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.635 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -88.31 165.06 30.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.876 -0.416 . . . . 71.5 109.876 179.224 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.497 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 19.3 Cg_endo -90.46 -170.51 0.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.702 2.268 . . . . 65.33 112.562 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 39.31 -144.08 0.34 Allowed Glycine 0 N--CA 1.454 -0.162 0 CA-C-N 115.558 -0.746 . . . . 62.31 114.473 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -33.94 32.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.337 -0.432 . . . . 61.3 111.363 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.763 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -53.63 -49.68 67.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.353 -0.385 . . . . 70.03 110.738 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.712 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -60.32 -31.78 74.9 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.294 -0.955 . . . . 70.33 111.694 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -51.34 67.71 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.12 -0.232 . . . . 74.43 110.748 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -65.04 -41.49 95.15 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.58 -0.282 . . . . 74.43 111.624 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.763 HD11 HD12 ' A' ' 27' ' ' LEU . 9.1 mt -59.62 -62.98 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.498 0.666 . . . . 73.55 109.791 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.36 -18.39 2.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.106 -0.952 . . . . 75.01 110.3 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -94.56 -55.11 3.26 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.852 0.686 . . . . 73.34 112.852 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.1 mm-40 -96.8 -17.87 19.95 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.179 0.807 . . . . 71.44 113.179 -177.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.556 HD13 HG22 ' A' ' 9' ' ' THR . 14.8 mm -103.89 96.3 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.935 0.398 . . . . 72.42 111.022 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.627 ' OG ' ' HB3' ' A' ' 15' ' ' ALA . 69.1 m -59.55 169.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 70.31 111.0 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -60.47 -34.76 74.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.064 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -61.64 -48.49 80.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.051 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.71 -36.51 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.97 0.414 . . . . 63.44 110.682 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.616 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 50.3 t-105 -61.96 -39.77 93.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 72.4 110.603 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.69 67.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 53.14 110.982 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -82.36 -30.72 30.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.14 109.967 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 13.1 t-105 -73.35 -49.01 29.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.998 -0.546 . . . . 55.12 109.845 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -49.49 -36.29 22.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.944 -0.571 . . . . 74.45 110.559 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -68.01 -40.1 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.775 -0.648 . . . . 61.45 110.5 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 49' ' ' MET . 11.4 tptt -83.21 -19.83 35.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 74.13 110.708 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' TRP . 1.7 tt0 -75.3 -51.93 12.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 75.45 110.831 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 t -56.49 -33.32 65.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.996 -0.547 . . . . 74.14 111.942 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.451 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -81.19 -37.9 27.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.684 0.278 . . . . 74.2 111.325 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.514 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 26.6 mt -60.1 -35.07 74.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.941 0.401 . . . . 72.5 110.503 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.93 HG21 ' HE1' ' A' ' 58' ' ' MET . 67.2 mt -74.25 -47.77 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 73.01 110.95 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -69.4 -29.27 66.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.093 -0.503 . . . . 75.53 111.232 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -84.14 -54.02 5.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.485 -0.325 . . . . 72.53 111.082 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.63 -6.6 54.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.51 -0.314 . . . . 71.11 110.771 179.657 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.12 59.18 1.69 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.353 -0.385 . . . . 74.11 111.091 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.871 ' HB2' HG23 ' A' ' 51' ' ' ILE . 28.1 mt -82.53 -171.99 3.79 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.347 -0.388 . . . . 75.54 110.415 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -156.53 98.74 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.798 0.332 . . . . 70.12 110.793 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.93 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.8 -14.89 50.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 34.55 111.861 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -24.43 42.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 74.53 110.522 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -105.62 128.38 53.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.52 . . . . 73.54 110.641 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.36 -27.95 67.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 75.0 111.284 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -55.35 -44.65 76.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 72.21 110.74 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -85.4 -34.92 21.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 60.41 110.514 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -52.54 -49.21 65.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 71.4 110.253 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -30.62 71.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.857 -0.61 . . . . 61.24 110.508 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -62.05 -44.76 95.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.403 179.639 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.896 HD11 HD11 ' A' ' 51' ' ' ILE . 2.2 mt -57.51 -41.31 80.54 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.99 0.424 . . . . 63.34 110.123 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.459 ' CG ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -54.98 -22.16 14.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 75.24 110.357 179.233 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 66' ' ' LEU . 42.1 tp60 -79.92 -49.58 11.69 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.069 -0.514 . . . . 75.11 111.089 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.1 -41.36 98.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.52 . . . . 62.35 111.619 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.42 ' SD ' ' CE2' ' A' ' 23' ' ' TYR . 5.7 ptm -55.29 -32.19 62.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.562 0.22 . . . . 72.11 111.065 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.824 HG13 ' HB2' ' A' ' 76' ' ' PHE . 58.4 t -66.19 -62.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.977 0.418 . . . . 73.42 110.494 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.461 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 19.4 t-20 -50.98 -18.98 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 64.34 111.162 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.43 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 14.9 t80 -95.27 -51.52 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.536 -0.302 . . . . 74.22 111.399 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -103.34 -45.6 4.83 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.859 0.688 . . . . 74.13 112.859 -178.695 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.824 ' HB2' HG13 ' A' ' 72' ' ' VAL . 34.8 m-85 -95.89 28.3 3.17 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.051 0.389 . . . . 73.34 112.051 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -68.78 57.92 0.09 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.101 -0.5 . . . . 71.23 111.226 -179.369 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.65 -21.02 0.71 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.583 -0.818 . . . . 72.21 112.769 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.67 22.3 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.95 0.405 . . . . 73.2 110.38 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.518 ' CD ' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -174.53 61.65 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.923 -0.58 . . . . 72.03 110.011 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.5 t -86.88 66.85 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.813 -0.63 . . . . 70.23 110.91 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -118.92 161.2 20.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.981 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 mt -88.31 128.49 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 64.22 111.326 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -135.54 124.45 24.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 55.3 110.648 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.29 50.73 1.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.605 -0.807 . . . . 74.03 112.234 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.489 ' O ' ' HD3' ' A' ' 88' ' ' PRO . 12.7 p90 -102.09 127.26 49.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.671 0.272 . . . . 70.14 110.76 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.7 p -74.3 107.18 3.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.1 111.067 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 86' ' ' TYR . 56.9 Cg_endo -69.94 74.21 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.377 2.052 . . . . 70.12 112.418 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.1 -45.97 54.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.015 0.436 . . . . 73.11 110.555 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 92' ' ' LYS . 2.2 t70 69.69 -73.1 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.827 -0.624 . . . . 74.42 111.046 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 71.71 -33.94 0.28 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.458 -0.337 . . . . 51.34 111.479 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.141 0 CA-C-O 120.842 0.353 . . . . 74.24 110.978 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 120.764 0.316 . . . . 74.34 111.446 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.26 -162.96 20.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.463 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.94 119.12 33.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.788 0.327 . . . . 63.22 110.872 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -110.43 117.54 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 75.15 110.906 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.465 HG22 ' HG2' ' A' ' 14' ' ' GLU . 2.0 m -128.96 110.19 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.612 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 pt -85.65 -176.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 72.21 111.462 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 7.3 t80 -123.48 99.99 6.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.685 -0.689 . . . . 72.41 109.657 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.0 t -60.56 147.89 39.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.373 -0.376 . . . . 65.22 110.979 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.504 HG22 HD13 ' A' ' 35' ' ' ILE . 14.7 t -97.0 -26.22 15.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.674 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -74.43 -40.67 61.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.144 0.497 . . . . 73.04 109.778 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 38' ' ' GLU . 7.1 mt -93.16 -18.9 22.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.587 -0.733 . . . . 73.11 110.516 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 59.2 41.93 19.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.349 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.48 -175.74 4.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.81 -0.632 . . . . 73.2 110.119 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 5' ' ' THR . 8.3 tt0 -105.04 115.26 29.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 65.42 110.909 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.64 -177.6 3.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.474 . . . . 54.41 111.169 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.99 -15.91 57.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 72.43 111.471 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.66 172.5 1.21 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.795 -0.716 . . . . 53.22 112.764 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -76.51 -178.59 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 62.42 110.859 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.31 -25.41 5.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 63.02 111.58 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 2.3 p90 -143.6 146.44 33.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.354 . . . . 75.5 111.085 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -72.13 125.25 26.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 75.54 111.118 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 20' ' ' PHE . 1.3 mt -102.38 -36.87 8.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 71.53 111.032 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.757 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -85.99 169.32 15.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 71.5 110.764 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.757 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 4.2 Cg_endo -44.61 -173.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.764 2.976 . . . . 65.33 113.779 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.62 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.518 0.262 0 N-CA-C 115.609 1.004 . . . . 62.31 115.609 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.81 -55.59 33.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.004 0.742 . . . . 61.3 113.004 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.781 HD13 ' CE ' ' A' ' 71' ' ' MET . 4.5 mt -61.03 -55.7 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.582 -0.447 . . . . 70.03 111.346 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.717 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -53.92 -23.32 22.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.988 -1.101 . . . . 70.33 112.632 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -52.79 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.615 0.245 . . . . 74.43 110.586 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.72 ' HE ' HD23 ' A' ' 27' ' ' LEU . 5.1 ptp180 -61.04 -36.89 80.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.492 -0.322 . . . . 74.43 110.971 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.717 HD12 ' HA2' ' A' ' 28' ' ' GLY . 4.4 mt -68.39 -47.61 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-O 121.486 0.66 . . . . 73.55 109.764 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.512 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -69.11 -18.65 64.0 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.217 -0.901 . . . . 75.01 110.38 179.181 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -100.79 -48.08 4.6 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.125 0.787 . . . . 73.34 113.125 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 39.3 mm-40 -97.76 -20.04 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.991 0.737 . . . . 71.44 112.991 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.604 HG23 ' HB3' ' A' ' 39' ' ' ALA . 16.9 mm -106.59 128.29 61.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.091 0.472 . . . . 72.42 111.131 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.7 p -87.6 179.66 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 70.31 110.375 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -68.3 -28.82 67.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.865 0.364 . . . . 71.22 110.82 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' A' ' 11' ' ' LEU . 2.3 tt0 -63.82 -46.67 84.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.204 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.604 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -73.17 -41.12 64.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.412 -0.358 . . . . 63.44 111.208 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.708 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 67.0 t-105 -60.77 -32.92 72.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.4 . . . . 72.4 110.699 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.48 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 53.14 110.752 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -73.52 -37.6 65.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.131 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' O ' ' N ' ' A' ' 47' ' ' GLN . 21.6 t-105 -67.83 -49.06 64.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.772 -0.649 . . . . 55.12 110.525 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.69 -44.83 38.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 74.45 111.29 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -66.53 -38.68 87.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.959 0.409 . . . . 61.45 110.433 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 49' ' ' MET . 1.6 tppt? -80.98 -19.3 44.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.01 -0.541 . . . . 74.13 110.654 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' TRP . 23.0 tt0 -74.73 -50.0 19.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.307 -0.406 . . . . 75.45 111.124 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -55.28 -36.94 66.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 74.14 111.928 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.553 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -73.83 -33.15 64.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.615 0.245 . . . . 74.2 111.294 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 83.8 mt -63.95 -41.56 97.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.971 0.415 . . . . 72.5 110.462 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.893 HD11 HD11 ' A' ' 67' ' ' LEU . 73.8 mt -65.6 -42.68 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.076 -0.511 . . . . 73.01 111.075 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -74.24 -28.91 61.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.165 -0.471 . . . . 75.53 111.11 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -84.9 -54.38 4.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.305 -0.407 . . . . 72.53 111.002 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -76.93 -7.61 55.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 71.11 110.827 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt 62.94 63.07 0.98 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.976 0.417 . . . . 74.11 110.872 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.82 ' HB2' HG23 ' A' ' 51' ' ' ILE . 40.1 mt -89.39 -172.18 3.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.009 -0.541 . . . . 75.54 110.645 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -158.53 104.8 1.82 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.417 . . . . 70.12 110.774 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.855 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -61.07 -19.18 61.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 34.55 111.39 -179.543 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -21.71 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 74.53 110.707 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -98.25 134.04 41.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.737 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.15 -24.39 63.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 75.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -36.38 80.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 72.21 111.197 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' A' ' 57' ' ' ASN . 50.7 m170 -85.47 -39.87 17.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 60.41 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -46.65 62.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.011 0.434 . . . . 71.4 110.242 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -70.79 -19.28 62.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.806 -0.634 . . . . 61.24 110.701 179.297 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.81 -38.69 53.47 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.626 -0.509 . . . . 65.44 109.626 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.893 HD11 HD11 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -64.23 -51.61 62.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.647 -0.706 . . . . 63.34 109.892 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HB2' ' HE2' ' A' ' 71' ' ' MET . 9.7 pt-20 -54.19 -23.73 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.73 -0.668 . . . . 75.24 110.15 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -47.41 45.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.808 -0.633 . . . . 75.11 110.293 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -63.78 -46.36 85.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.889 -0.596 . . . . 62.35 110.472 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.781 ' CE ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -46.98 -37.03 8.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.763 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 76' ' ' PHE . 89.8 t -58.92 -59.49 3.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.21 0.528 . . . . 73.42 110.262 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 7.5 t30 -52.01 -19.82 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.613 -0.721 . . . . 64.34 111.453 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.471 ' CE1' ' HE2' ' A' ' 46' ' ' LYS . 41.5 t80 -95.17 -48.88 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.572 -0.285 . . . . 74.22 111.745 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -103.53 -45.99 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.651 0.611 . . . . 74.13 112.651 -178.608 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.771 ' HB2' HG13 ' A' ' 72' ' ' VAL . 47.3 m-85 -99.75 28.52 4.67 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 112.504 0.557 . . . . 73.34 112.504 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -66.17 55.45 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.933 -0.576 . . . . 71.23 110.988 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . 174.43 -51.29 0.14 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.261 -0.971 . . . . 72.21 114.052 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' C ' ' HG2' ' A' ' 80' ' ' GLU . 11.1 mmtm -79.06 20.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.086 0.443 . . . . 73.2 111.687 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG3' HG13 ' A' ' 72' ' ' VAL . 1.6 mm-40 -140.1 -42.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.211 0.529 . . . . 72.03 110.645 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 81' ' ' VAL . 7.1 p -78.62 108.44 12.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.382 -0.826 . . . . 70.23 111.338 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -123.05 146.0 48.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.824 -0.625 . . . . 72.21 110.126 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -104.69 111.79 35.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 64.22 111.558 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.71 115.66 13.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 55.3 110.712 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.7 -8.03 15.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.643 -0.789 . . . . 74.03 112.83 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.91 140.81 49.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.788 0.327 . . . . 70.14 110.718 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 p -121.44 78.56 36.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.1 111.148 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.6 -21.33 5.18 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.562 2.175 . . . . 70.12 112.258 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.95 -61.02 2.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 73.11 111.031 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.15 163.1 12.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.42 111.121 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -129.56 166.92 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 51.34 110.818 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.344 -0.389 . . . . 74.24 110.69 179.733 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.826 0.346 . . . . 74.34 111.187 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.98 121.68 0.6 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.634 -0.793 . . . . 74.12 112.67 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -161.04 136.3 7.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.34 . . . . 63.22 110.763 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 8.3 ttm105 -103.48 82.32 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 75.15 111.17 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' HG2' ' A' ' 14' ' ' GLU . 3.9 m -126.68 112.03 14.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 75.42 110.398 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 pt -81.83 -174.77 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.061 0.458 . . . . 72.21 111.391 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -126.28 102.85 7.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.68 -0.691 . . . . 72.41 109.713 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.688 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 22.9 t -63.46 150.99 42.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.442 -0.344 . . . . 65.22 111.167 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.485 HG22 HD13 ' A' ' 35' ' ' ILE . 15.3 t -100.77 -25.27 14.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.355 -0.384 . . . . 73.23 110.684 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 74' ' ' PHE . 40.7 t80 -74.08 -46.16 44.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 73.04 109.897 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.19 -19.17 24.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.771 -0.65 . . . . 73.11 110.443 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 61.82 40.91 12.29 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.129 -0.487 . . . . 71.4 110.362 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -137.36 -172.79 3.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.916 -0.584 . . . . 73.2 110.606 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.631 ' HG2' HG22 ' A' ' 5' ' ' THR . 6.6 tt0 -107.86 118.15 35.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 65.42 110.486 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.67 169.88 11.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 54.41 111.474 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -12.64 61.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.94 -0.573 . . . . 72.43 111.43 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.33 161.71 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 53.22 112.505 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -76.19 -178.58 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 62.42 110.867 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -117.59 -25.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 63.02 111.416 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -137.13 141.14 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.442 -0.345 . . . . 75.5 111.128 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 32' ' ' TYR . 19.6 tt0 -58.96 111.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 75.54 110.763 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.41 -40.88 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 71.53 111.02 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.758 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -96.32 167.41 12.4 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 71.5 110.205 179.587 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.758 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 20.8 Cg_endo -91.5 -169.96 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.944 2.43 . . . . 65.33 112.694 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.41 -143.0 0.21 Allowed Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.409 -0.814 . . . . 62.31 114.723 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -44.72 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.199 -0.5 . . . . 61.3 111.882 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.731 HD23 ' HD2' ' A' ' 30' ' ' ARG . 2.7 mt -49.21 -46.35 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 70.03 110.384 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.687 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -60.02 -34.48 83.71 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.62 -0.8 . . . . 70.33 111.875 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -55.36 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.882 0.372 . . . . 74.43 110.213 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.731 ' HD2' HD23 ' A' ' 27' ' ' LEU . 2.2 ptp180 -57.27 -42.3 81.35 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.86 -0.609 . . . . 74.43 111.573 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.687 HD12 ' HA2' ' A' ' 28' ' ' GLY . 5.8 mt -62.63 -58.19 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 121.436 0.636 . . . . 73.55 109.588 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.457 ' HB2' ' HA ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -60.1 -18.28 45.96 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.073 -0.967 . . . . 75.01 110.566 178.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -97.4 -56.24 2.59 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.777 0.658 . . . . 73.34 112.777 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.688 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.1 mm-40 -94.51 -20.84 19.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.533 0.568 . . . . 71.44 112.533 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 9' ' ' THR . 20.5 mm -102.28 135.56 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.885 0.374 . . . . 72.42 110.756 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -100.95 175.5 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 70.31 111.183 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -59.22 -40.85 87.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 71.22 110.768 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.25 -44.89 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 72.33 110.731 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -70.98 -37.41 72.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 63.44 111.014 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 34.7 t-105 -64.63 -37.05 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 72.4 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.65 -19.59 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 53.14 110.923 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.33 -27.72 29.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.337 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' A' ' 75' ' ' LEU . 24.4 t-105 -81.87 -52.19 7.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.133 -0.485 . . . . 55.12 109.995 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.6 -42.64 34.58 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.065 -0.516 . . . . 74.45 110.756 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -65.28 -29.59 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 61.45 110.143 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 49' ' ' MET . 5.8 tptm -86.44 -21.21 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 74.13 110.536 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.592 ' HG3' HD21 ' A' ' 67' ' ' LEU . 16.8 tt0 -68.7 -47.33 66.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 75.45 110.406 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.8 t -57.74 -44.75 86.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 74.14 111.665 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 3.9 ptp -72.09 -42.22 66.39 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 111.733 0.271 . . . . 74.2 111.733 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 59.5 mt -57.9 -44.54 86.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 72.5 110.614 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.761 HG21 ' HE1' ' A' ' 58' ' ' MET . 90.1 mt -66.47 -38.94 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.114 -0.494 . . . . 73.01 110.964 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -76.54 -30.9 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 75.53 111.297 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -85.57 -54.29 4.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.605 -0.271 . . . . 72.53 110.903 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.95 -8.85 57.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.472 -0.331 . . . . 71.11 110.6 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 62.77 63.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.409 . . . . 74.11 110.838 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.642 ' HB2' HG23 ' A' ' 51' ' ' ILE . 72.9 mt -91.29 -174.93 4.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 75.54 110.429 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -152.28 106.16 3.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.402 . . . . 70.12 110.984 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.761 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.11 -20.96 28.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 34.55 111.22 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -21.13 35.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.535 -0.302 . . . . 74.53 110.812 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -96.38 130.1 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 73.54 110.801 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.25 95.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 75.0 111.37 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -36.51 66.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 72.21 110.991 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 27.0 m170 -85.3 -36.73 20.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.035 -0.529 . . . . 60.41 110.729 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.562 ' HA ' HH11 ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.26 -45.51 83.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.021 0.439 . . . . 71.4 110.098 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -73.72 -17.81 61.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.795 -0.639 . . . . 61.24 110.474 179.275 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.482 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -72.6 -39.47 67.29 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.458 -0.571 . . . . 65.44 109.458 178.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD21 ' HG3' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -64.33 -52.06 60.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 63.34 109.813 179.118 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.63 ' HB2' HD13 ' A' ' 27' ' ' LEU . 7.2 pt-20 -55.92 -24.36 37.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.764 -0.653 . . . . 75.24 110.093 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -70.59 -43.83 68.59 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.76 -0.655 . . . . 75.11 110.539 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.91 -39.07 66.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.028 -0.533 . . . . 62.35 110.654 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.617 ' HE1' ' HB2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -50.46 -37.11 36.66 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.336 -0.393 . . . . 72.11 110.885 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.803 HG13 ' HB2' ' A' ' 76' ' ' PHE . 84.2 t -61.35 -60.84 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 CA-C-O 121.036 0.446 . . . . 73.42 110.167 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 2.0 t-20 -50.41 -19.06 0.75 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 64.34 111.003 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CE2' ' CZ ' ' A' ' 10' ' ' PHE . 24.4 t80 -95.02 -50.43 5.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 74.22 111.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.24 -48.57 3.97 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.392 0.516 . . . . 74.13 112.392 -178.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.803 ' HB2' HG13 ' A' ' 72' ' ' VAL . 41.3 m-85 -93.91 28.66 2.33 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.941 0.4 . . . . 73.34 112.068 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 20.7 tt0 -66.94 60.25 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.729 -0.668 . . . . 71.23 110.804 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -169.17 -35.89 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.66 -0.781 . . . . 72.21 112.772 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -22.65 28.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.661 0.267 . . . . 73.2 111.386 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 64.36 85.58 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.42 -0.354 . . . . 72.03 111.167 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.635 ' HB ' HG21 ' A' ' 72' ' ' VAL . 20.9 t -96.96 96.7 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.266 -0.425 . . . . 70.23 111.025 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -88.59 175.83 7.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.27 -0.423 . . . . 72.21 111.09 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mp -86.72 146.42 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 64.22 110.921 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -109.01 102.6 11.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 55.3 111.198 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.92 86.36 0.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.764 -0.731 . . . . 74.03 113.031 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -88.33 153.24 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.68 0.276 . . . . 70.14 110.612 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.37 102.48 5.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 74.1 111.159 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.74 -13.49 26.96 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.486 2.124 . . . . 70.12 112.527 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -51.24 14.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.826 0.346 . . . . 73.11 110.91 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.09 175.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.42 111.031 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -113.61 -69.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 51.34 110.969 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.314 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.603 0.24 . . . . 74.34 111.323 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.28 119.75 1.15 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.591 -0.814 . . . . 74.12 112.828 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.59 154.27 44.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 63.22 110.771 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.77 81.55 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 75.15 110.825 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.647 HG22 ' HG2' ' A' ' 14' ' ' GLU . 16.2 m -133.14 108.01 8.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 75.42 110.733 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.1 pt -84.3 -176.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 72.21 111.192 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -121.74 98.96 6.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 72.41 109.991 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.7 t -60.82 148.4 39.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 65.22 110.842 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.573 HG22 ' CD1' ' A' ' 35' ' ' ILE . 14.6 t -98.04 -25.15 15.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 73.23 110.765 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -74.26 -43.99 54.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.034 0.445 . . . . 73.04 109.827 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 mt -89.67 -21.52 22.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.756 -0.656 . . . . 73.11 110.423 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 62.84 40.66 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 71.4 110.364 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.83 -177.28 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.893 -0.594 . . . . 73.2 110.175 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.647 ' HG2' HG22 ' A' ' 5' ' ' THR . 3.8 tt0 -100.37 110.48 22.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.812 0.339 . . . . 65.42 110.665 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.82 170.87 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 54.41 111.509 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -63.59 -27.55 69.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.026 -0.534 . . . . 72.43 111.163 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.94 161.22 6.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.899 -0.667 . . . . 53.22 112.674 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.895 ' OE1' HD13 ' A' ' 22' ' ' LEU . 76.6 mt-30 -64.54 -179.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 62.42 110.994 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.39 -28.04 6.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 63.02 110.804 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -146.33 153.05 40.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 75.5 110.747 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 48.2 tt0 -62.27 124.33 20.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 75.54 111.044 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.895 HD13 ' OE1' ' A' ' 18' ' ' GLN . 10.6 mp -92.45 -41.11 10.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.53 111.022 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.648 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -93.04 167.75 13.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 71.5 110.04 179.473 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.545 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.9 Cg_endo -90.93 -172.06 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.69 2.26 . . . . 65.33 112.798 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.47 -142.92 0.96 Allowed Glycine 0 N--CA 1.453 -0.229 0 CA-C-N 115.433 -0.803 . . . . 62.31 114.374 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.28 -35.63 30.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.245 -0.478 . . . . 61.3 111.38 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.847 HD12 HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -53.88 -49.45 68.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.038 -0.528 . . . . 70.03 110.858 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.781 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -61.54 -32.51 81.52 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.13 -1.033 . . . . 70.33 111.657 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 42.9 mttt -66.11 -43.38 87.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.686 0.279 . . . . 74.43 110.323 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.732 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.7 ptp180 -69.9 -39.81 76.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.42 -0.355 . . . . 74.43 111.161 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.847 HD11 HD12 ' A' ' 27' ' ' LEU . 6.6 mt -62.82 -52.92 53.54 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 121.592 0.71 . . . . 73.55 109.761 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -17.99 58.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.848 -1.069 . . . . 75.01 110.218 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 1.6 m-80 -97.19 -50.72 4.47 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.554 0.576 . . . . 73.34 112.554 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.1 mm-40 -98.94 -15.42 19.14 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.987 0.736 . . . . 71.44 112.987 -177.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.573 ' CD1' HG22 ' A' ' 9' ' ' THR . 19.4 mm -112.11 106.58 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.844 0.354 . . . . 72.42 111.373 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 t -68.54 176.82 2.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 70.31 110.71 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -66.15 -29.3 69.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 71.22 111.077 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -44.37 76.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 72.33 111.116 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.58 -35.01 67.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.43 -0.35 . . . . 63.44 111.15 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.641 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.5 t-105 -63.45 -33.88 76.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.35 -0.386 . . . . 72.4 110.754 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.4 -27.12 68.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 53.14 110.798 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -78.46 -33.85 48.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.114 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.787 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 31.4 t-105 -75.66 -51.93 11.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 55.12 110.244 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -48.91 -36.7 17.84 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.13 0.49 . . . . 74.45 110.249 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.25 -29.69 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.672 -0.695 . . . . 61.45 110.336 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -85.56 -25.91 26.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.236 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' HA ' HD11 ' A' ' 67' ' ' LEU . 4.7 tt0 -68.53 -48.15 65.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.0 -0.545 . . . . 75.45 110.406 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 t -54.01 -45.44 71.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 74.14 111.286 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.3 ptp -72.09 -41.96 66.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.67 0.271 . . . . 74.2 110.748 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 27.2 mt -57.59 -30.15 65.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.358 . . . . 72.5 110.368 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.721 HG21 ' HE1' ' A' ' 58' ' ' MET . 96.2 mt -84.85 -39.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 73.01 111.148 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -73.66 -31.84 63.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.499 . . . . 75.53 111.46 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.01 -54.35 4.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.594 -0.276 . . . . 72.53 111.407 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.15 -8.74 55.56 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.725 0.297 . . . . 71.11 110.932 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt 67.72 58.81 0.49 Allowed 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.863 0.363 . . . . 74.11 110.938 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.667 ' HB2' HG23 ' A' ' 51' ' ' ILE . 77.2 mt -96.45 -172.31 2.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 75.54 110.367 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -156.48 122.18 4.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.866 0.365 . . . . 70.12 110.634 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.721 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -70.32 -13.17 62.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 34.55 111.461 -179.759 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -26.68 24.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 74.53 110.435 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -90.27 112.45 24.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 73.54 110.685 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.25 -29.26 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 75.0 111.325 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' OE2' ' HE2' ' A' ' 92' ' ' LYS . 6.7 tp10 -63.67 -37.17 86.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 72.21 110.846 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -85.22 -34.56 21.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 60.41 110.798 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -53.21 -45.89 68.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.838 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -28.06 66.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 61.24 110.849 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.535 HD22 HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -54.56 -46.73 73.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.743 0.306 . . . . 65.44 110.226 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.787 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 3.7 mm? -58.5 -47.46 84.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.38 -0.6 . . . . 63.34 109.38 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.685 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 2.5 tt0 -52.08 -23.51 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.304 -0.862 . . . . 75.24 110.211 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -81.21 -50.42 9.6 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.619 -0.718 . . . . 75.11 111.33 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.86 -30.85 62.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.822 0.344 . . . . 62.35 110.84 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -51.17 -50.31 59.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.264 -0.426 . . . . 72.11 111.117 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.797 HG13 ' HB2' ' A' ' 76' ' ' PHE . 65.0 t -50.97 -57.99 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 73.42 110.312 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -51.96 -21.29 2.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 64.34 111.107 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -94.83 -51.27 4.76 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.996 0.369 . . . . 74.22 111.996 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.684 HD11 ' CB ' ' A' ' 43' ' ' TRP . 1.5 mt -103.13 -46.27 4.68 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.425 0.528 . . . . 74.13 112.425 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.797 ' HB2' HG13 ' A' ' 72' ' ' VAL . 87.2 m-85 -95.49 28.18 3.06 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.48 0.548 . . . . 73.34 112.48 -178.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' VAL . 14.6 tt0 -68.25 58.41 0.08 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.028 0.442 . . . . 71.23 110.413 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -170.44 -41.64 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.843 -0.617 . . . . 72.21 112.298 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.32 -39.28 40.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.851 0.358 . . . . 73.2 110.638 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 59.44 79.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 72.03 110.855 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.456 HG21 ' HD3' ' A' ' 30' ' ' ARG . 5.3 t -85.73 119.22 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.167 -0.47 . . . . 70.23 111.193 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -115.0 131.34 56.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.369 . . . . 72.21 110.909 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mp -84.0 146.56 6.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.19 -0.459 . . . . 64.22 110.82 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -134.02 94.54 3.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.341 -0.39 . . . . 55.3 111.116 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.35 49.71 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 74.03 112.784 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -86.44 123.66 31.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 70.14 110.854 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 t -128.7 84.5 62.94 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 74.1 110.977 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -79.2 151.76 23.61 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.778 2.319 . . . . 70.12 112.314 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.01 -34.85 29.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.485 . . . . 73.11 111.006 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.2 134.16 36.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 74.42 110.985 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -76.76 106.49 8.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.237 -0.438 . . . . 51.34 110.424 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.454 ' HE2' ' OE2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.24 111.618 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.782 0.325 . . . . 74.34 111.225 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.61 158.13 8.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 74.12 112.473 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.12 148.28 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 63.22 111.071 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.69 135.3 47.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 75.15 110.696 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.402 HG22 ' HG2' ' A' ' 14' ' ' GLU . 2.2 m -114.86 123.11 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.134 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 pt -82.71 -176.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 72.21 111.047 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -121.28 99.55 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.877 -0.601 . . . . 72.41 109.864 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 1.4 p -59.0 142.71 50.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 65.22 110.606 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.553 HG22 HD13 ' A' ' 35' ' ' ILE . 9.2 t -98.28 -24.18 15.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.445 -0.343 . . . . 73.23 111.178 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -74.48 -41.79 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.727 -0.471 . . . . 73.04 109.727 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.88 -11.35 28.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 73.11 110.843 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 56.19 44.5 24.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.984 0.421 . . . . 71.4 110.195 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -142.02 -169.02 2.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 73.2 110.728 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HG2' HG22 ' A' ' 5' ' ' THR . 11.7 tt0 -106.31 116.63 32.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 65.42 110.87 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.88 161.12 22.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.379 . . . . 54.41 111.156 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.25 -16.46 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.27 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.98 176.76 8.23 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.672 -0.775 . . . . 53.22 112.603 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -91.0 169.56 10.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 62.42 110.883 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -102.49 -31.39 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 63.02 111.079 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -134.75 144.77 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 75.5 110.958 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 33.4 tt0 -61.42 133.46 55.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.399 -0.364 . . . . 75.54 110.853 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -95.6 -41.63 8.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 71.53 111.411 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.62 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -95.1 169.21 9.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 71.5 110.404 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.548 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 12.0 Cg_endo -94.58 -168.02 0.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.969 2.446 . . . . 65.33 112.886 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 39.75 -145.14 0.33 Allowed Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.393 -0.821 . . . . 62.31 114.515 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -81.26 -34.55 32.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.148 -0.526 . . . . 61.3 111.396 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.769 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -58.46 -46.94 85.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 70.03 110.375 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.622 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -59.49 -28.63 65.22 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.021 -1.085 . . . . 70.33 111.741 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -70.3 -39.71 74.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.669 0.271 . . . . 74.43 110.778 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.769 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.0 ptm85 -72.56 -38.28 67.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.509 -0.314 . . . . 74.43 111.192 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.622 HD12 ' HA2' ' A' ' 28' ' ' GLY . 5.2 mt -64.07 -52.76 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.477 0.656 . . . . 73.55 109.903 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -18.12 58.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.005 -0.998 . . . . 75.01 110.333 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -99.91 -53.35 3.19 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.962 0.727 . . . . 73.34 112.962 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 13.9 mt-10 -94.48 -20.23 19.86 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.741 0.645 . . . . 71.44 112.741 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.553 HD13 HG22 ' A' ' 9' ' ' THR . 23.6 mm -104.31 126.43 59.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.948 0.404 . . . . 72.42 110.739 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.2 p -91.83 176.97 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.913 -0.585 . . . . 70.31 110.868 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -61.58 -36.02 79.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.905 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -61.25 -45.23 95.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.992 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -71.26 -50.68 30.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 63.44 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.495 ' HZ3' ' HE2' ' A' ' 71' ' ' MET . 51.2 t-105 -53.01 -43.91 66.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.575 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.56 -29.12 61.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 53.14 110.769 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 5.3 mt-30 -77.82 -29.29 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 75.14 110.23 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' CZ2' HD22 ' A' ' 67' ' ' LEU . 28.8 t-105 -75.66 -47.94 24.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.857 -0.61 . . . . 55.12 110.57 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 9.1 mm100 -46.88 -46.41 21.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.398 . . . . 74.45 110.756 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.502 ' O ' HG22 ' A' ' 48' ' ' THR . 53.9 t60 -61.78 -52.39 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.926 -0.579 . . . . 61.45 110.592 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 10.3 tptp -68.88 -20.48 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.13 111.027 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' TRP . 1.4 tt0 -74.37 -54.49 7.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.893 0.377 . . . . 75.45 111.216 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 45' ' ' HIS . 13.3 t -54.04 -33.18 56.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 74.14 111.957 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -81.07 -40.18 24.56 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.073 -0.251 . . . . 74.2 111.273 -179.55 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 41.5 mt -55.75 -43.35 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 72.5 110.383 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.052 HD11 HD11 ' A' ' 67' ' ' LEU . 18.7 mt -67.33 -38.26 80.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.966 -0.561 . . . . 73.01 110.797 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -73.25 -32.57 64.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.077 -0.51 . . . . 75.53 111.032 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.17 -54.35 4.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.423 -0.353 . . . . 72.53 111.201 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -73.77 -10.44 59.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.722 0.296 . . . . 71.11 111.004 179.656 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? 68.07 60.42 0.42 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.893 0.377 . . . . 74.11 110.854 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.671 ' HB2' HG23 ' A' ' 51' ' ' ILE . 53.0 mt -92.21 178.41 5.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.246 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -155.65 102.68 2.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.983 0.421 . . . . 70.12 110.881 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.711 ' HE1' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -58.74 -18.74 34.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.783 -0.644 . . . . 34.55 111.49 -179.739 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -21.49 44.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 74.53 110.662 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.4 120.23 40.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.292 -0.413 . . . . 73.54 110.579 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.97 -23.94 55.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.498 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.62 -40.34 95.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 72.21 110.995 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.432 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 42.8 m170 -85.52 -35.72 20.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.144 -0.48 . . . . 60.41 110.787 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.2 OUTLIER -50.17 -46.64 54.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 71.4 110.625 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -66.41 -22.49 66.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.845 -0.616 . . . . 61.24 110.771 179.582 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -42.66 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 65.44 109.919 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.052 HD11 HD11 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -60.36 -50.03 75.23 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.017 -0.538 . . . . 63.34 109.812 179.125 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.712 ' HB2' HD13 ' A' ' 27' ' ' LEU . 8.6 pt-20 -55.22 -23.49 22.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.692 -0.685 . . . . 75.24 110.391 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -46.68 31.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.861 -0.609 . . . . 75.11 110.645 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.7 -41.83 87.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.897 -0.592 . . . . 62.35 111.086 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.495 ' HE2' ' HZ3' ' A' ' 40' ' ' TRP . 4.0 ptm -47.32 -35.4 7.96 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.42 -0.354 . . . . 72.11 110.962 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.829 HG13 ' HB2' ' A' ' 76' ' ' PHE . 99.9 t -64.39 -59.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.993 0.425 . . . . 73.42 110.27 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.2 t30 -51.09 -19.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 64.34 111.296 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -95.19 -49.66 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.273 . . . . 74.22 111.567 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -103.57 -43.41 5.38 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.913 0.709 . . . . 74.13 112.913 -178.593 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.829 ' HB2' HG13 ' A' ' 72' ' ' VAL . 74.9 m-85 -101.45 27.83 5.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.859 0.689 . . . . 73.34 112.859 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -68.97 58.54 0.1 Allowed 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 116.442 -0.345 . . . . 71.23 110.858 -179.758 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . 153.9 -19.44 0.66 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.471 -0.871 . . . . 72.21 113.556 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.52 28.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.104 0.452 . . . . 73.2 111.447 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -178.86 38.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 72.03 110.619 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.2 p -68.73 64.57 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 116.151 -0.477 . . . . 70.23 111.203 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -113.52 142.9 45.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 72.21 110.782 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -136.74 119.93 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 64.22 111.076 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -112.19 153.36 27.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 55.3 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.47 20.91 74.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.68 -0.771 . . . . 74.03 112.696 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -102.86 141.09 36.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.341 . . . . 70.14 110.959 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 87' ' ' THR . 8.6 t -129.55 114.39 18.1 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.1 110.741 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.73 123.03 11.89 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.343 2.029 . . . . 70.12 112.195 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 pm0 -83.64 -29.98 27.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.297 -0.41 . . . . 73.11 110.903 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -166.09 82.43 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.677 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -58.78 -176.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 51.34 111.012 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 74.24 111.03 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mtp . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.772 0.32 . . . . 74.34 111.272 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.33 127.68 1.48 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.727 -0.749 . . . . 74.12 112.457 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.19 108.85 11.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 63.22 111.072 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -63.96 150.11 45.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 75.15 110.555 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 6' ' ' ILE . 2.0 m -132.18 170.64 14.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.865 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.466 ' H ' HG22 ' A' ' 5' ' ' THR . 9.5 pt -139.62 176.12 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 72.21 110.616 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -110.39 98.89 8.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.266 -0.425 . . . . 72.41 110.091 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 36.2 t -65.42 144.06 57.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 65.22 110.873 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.566 HG22 HD13 ' A' ' 35' ' ' ILE . 14.9 t -97.15 -21.12 17.51 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.725 0.298 . . . . 73.23 111.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -74.29 -46.26 42.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.976 0.417 . . . . 73.04 110.023 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.606 HD12 ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -90.43 -15.02 31.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 73.11 110.692 179.071 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 60.73 42.05 14.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.017 0.437 . . . . 71.4 109.848 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.24 -173.75 4.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.689 . . . . 73.2 110.129 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.17 115.81 31.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 65.42 110.847 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.98 164.07 28.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.06 -0.518 . . . . 54.41 110.923 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.26 158.58 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 72.43 110.756 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.23 167.64 12.77 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.726 -0.75 . . . . 53.22 112.451 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.92 149.62 30.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 62.42 110.809 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.04 -27.45 43.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 63.02 111.445 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -141.33 138.85 33.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 75.5 111.349 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 51.2 tt0 -59.53 121.26 11.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.486 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.727 HD23 ' HE1' ' A' ' 40' ' ' TRP . 5.3 mp -83.11 -41.9 18.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 71.53 111.857 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.628 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.66 169.17 12.39 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.658 0.266 . . . . 71.5 110.451 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 14.4 Cg_endo -92.98 -172.99 0.37 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.893 2.395 . . . . 65.33 112.929 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.3 -144.81 0.13 Allowed Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.196 -0.911 . . . . 62.31 114.595 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.29 -37.16 53.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.22 -0.49 . . . . 61.3 111.395 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.854 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -51.19 -52.95 39.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 70.03 110.805 -179.633 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.661 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -57.72 -33.87 68.92 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.162 -1.018 . . . . 70.33 111.762 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -63.35 -52.83 60.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.52 0.2 . . . . 74.43 110.603 179.272 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.734 ' HD2' HD13 ' A' ' 27' ' ' LEU . 10.6 ptp180 -59.99 -40.83 90.51 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.609 -0.269 . . . . 74.43 110.871 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.854 HD11 HD12 ' A' ' 27' ' ' LEU . 8.0 mt -64.6 -59.66 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.276 0.56 . . . . 73.55 110.154 179.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -54.96 -18.34 4.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.409 -0.814 . . . . 75.01 110.366 178.745 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 28.8 m-20 -100.1 -48.48 4.62 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.152 0.797 . . . . 73.34 113.152 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.619 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 1.2 mm-40 -98.41 -23.5 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.746 0.647 . . . . 71.44 112.746 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.566 HD13 HG22 ' A' ' 9' ' ' THR . 18.9 mm -104.46 98.97 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 72.42 111.022 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.5 p -58.81 173.67 0.41 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.137 -0.483 . . . . 70.31 111.007 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -61.19 -35.51 77.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 71.22 110.677 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.76 -48.66 78.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 72.33 110.817 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -69.3 -31.88 70.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 63.44 110.578 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.727 ' HE1' HD23 ' A' ' 22' ' ' LEU . 52.2 t-105 -69.95 -38.38 76.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.543 . . . . 72.4 110.322 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.9 -28.46 70.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 53.14 110.535 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -74.88 -28.94 60.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 75.14 109.954 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 27.5 t-105 -77.55 -52.05 9.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 55.12 110.581 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.28 -40.72 17.44 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.961 0.41 . . . . 74.45 110.49 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 48' ' ' THR . 37.6 t60 -66.46 -39.4 88.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.824 -0.626 . . . . 61.45 110.061 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -78.28 -20.37 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.989 -0.551 . . . . 74.13 110.393 179.419 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.665 ' CG ' HD21 ' A' ' 67' ' ' LEU . 22.4 tt0 -72.1 -48.29 44.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 75.45 110.276 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 45' ' ' HIS . 5.6 t -55.61 -38.52 69.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.017 -0.538 . . . . 74.14 111.584 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -79.37 -37.1 38.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.81 0.338 . . . . 74.2 110.37 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.597 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 44.9 mt -64.33 -33.37 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 72.5 110.233 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.811 HG23 ' HB2' ' A' ' 56' ' ' LEU . 73.3 mt -80.91 -39.63 17.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 73.01 110.759 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.95 -30.36 61.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 75.53 111.091 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -86.19 -54.32 4.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.588 -0.278 . . . . 72.53 111.532 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -72.34 -8.08 52.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.595 0.236 . . . . 71.11 111.089 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 13.3 mmtp 65.62 61.09 0.69 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.805 0.336 . . . . 74.11 111.404 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.853 HD21 HD22 ' A' ' 66' ' ' LEU . 77.5 mt -93.45 -179.02 4.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.493 -0.321 . . . . 75.54 110.231 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -151.13 105.5 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 70.12 110.986 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.6 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.59 -23.71 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 34.55 111.413 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -20.24 46.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.519 -0.309 . . . . 74.53 111.259 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.53 118.15 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.811 0.339 . . . . 73.54 110.719 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.24 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 75.0 110.879 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -54.29 -39.12 66.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 72.21 111.149 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -85.13 -41.33 15.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 60.41 110.404 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -43.75 61.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.589 . . . . 71.4 110.349 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 62' ' ' GLU . 4.8 pttt -64.29 -31.21 72.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 61.24 110.088 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.853 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -59.6 -46.79 87.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.001 -0.545 . . . . 65.44 110.168 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -58.14 -42.0 84.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 63.34 109.839 179.131 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.499 ' HA ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -63.3 -20.05 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 75.24 109.868 178.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -79.32 -47.51 15.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.935 -0.575 . . . . 75.11 110.718 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -73.08 -38.43 66.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 62.35 111.23 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.499 ' SD ' ' HA ' ' A' ' 68' ' ' GLU . 3.1 ptm -49.09 -39.73 29.17 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.587 -0.279 . . . . 72.11 111.216 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.85 HG13 ' HB2' ' A' ' 76' ' ' PHE . 68.9 t -62.87 -57.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.957 0.408 . . . . 73.42 110.585 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -52.83 -18.63 1.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.549 . . . . 64.34 111.486 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -95.25 -49.55 5.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.697 0.284 . . . . 74.22 111.59 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.68 -44.85 4.97 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.988 0.736 . . . . 74.13 112.988 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.85 ' HB2' HG13 ' A' ' 72' ' ' VAL . 44.7 m-85 -100.1 28.58 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.784 0.661 . . . . 73.34 112.784 -178.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 4.9 tt0 -66.35 60.01 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.081 0.467 . . . . 71.23 111.019 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -170.58 -39.62 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.765 -0.652 . . . . 72.21 112.216 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -32.54 45.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 73.2 110.575 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 57.48 88.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.018 -0.537 . . . . 72.03 110.834 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.04 54.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 70.23 110.906 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.59 179.39 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 72.21 110.713 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 84' ' ' GLU . 9.5 mm -86.92 160.1 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.255 -0.43 . . . . 64.22 110.932 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 83' ' ' ILE . 22.5 tt0 -158.69 115.39 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 55.3 110.923 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.14 32.11 3.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 74.03 112.555 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -83.45 146.51 28.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 70.14 110.809 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 t -131.27 91.56 35.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.743 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.87 179.87 4.51 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.774 2.316 . . . . 70.12 112.439 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -67.37 -35.55 79.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.955 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.98 63.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.42 111.204 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.35 32.45 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 51.34 110.306 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.851 -0.613 . . . . 74.24 111.018 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.716 0.293 . . . . 74.34 111.469 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.43 -39.77 2.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 74.12 112.346 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -119.27 109.7 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.741 0.305 . . . . 63.22 110.694 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -104.05 112.41 25.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 75.15 111.161 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 m -111.78 119.7 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.556 . . . . 75.42 110.292 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.0 pt -81.2 -175.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 72.21 111.348 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 17.2 t80 -115.46 101.65 9.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 72.41 110.215 179.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 35.9 t -65.1 144.49 57.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.522 -0.308 . . . . 65.22 110.279 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.61 HG22 HD13 ' A' ' 35' ' ' ILE . 14.8 t -99.24 -21.97 15.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.658 0.265 . . . . 73.23 111.064 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -74.69 -44.73 48.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.001 0.429 . . . . 73.04 110.072 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mt -89.39 -13.27 38.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 73.11 110.777 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 60.9 40.68 15.34 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.902 0.382 . . . . 71.4 110.367 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.76 -168.2 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 73.2 110.447 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.7 tt0 -107.8 118.94 38.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 65.42 110.61 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.91 165.39 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.939 0.399 . . . . 54.41 111.33 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.35 171.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 72.43 110.749 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.12 179.99 16.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.587 -0.816 . . . . 53.22 112.517 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.51 142.96 26.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.716 0.293 . . . . 62.42 111.06 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.69 -31.52 65.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 63.02 111.178 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -130.12 140.73 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.5 110.985 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.3 134.67 57.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.82 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mt -90.59 -43.96 9.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 71.53 111.169 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -92.15 171.43 7.71 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.52 -0.309 . . . . 71.5 110.239 179.296 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 13.3 Cg_endo -94.0 -174.59 0.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.195 2.597 . . . . 65.33 113.1 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 35.6 -144.15 0.09 OUTLIER Glycine 0 C--N 1.332 0.312 0 CA-C-N 115.263 -0.88 . . . . 62.31 114.814 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -39.94 62.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.373 -0.414 . . . . 61.3 111.277 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.923 HD12 HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -48.03 -55.11 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.982 -0.554 . . . . 70.03 110.968 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.867 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -60.12 -28.44 66.53 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.341 -0.933 . . . . 70.33 111.988 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -60.38 -56.45 21.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 74.43 110.343 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.71 -37.94 86.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.569 . . . . 74.43 111.554 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.923 HD11 HD12 ' A' ' 27' ' ' LEU . 7.2 mt -65.07 -63.24 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-O 121.467 0.651 . . . . 73.55 109.998 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -54.2 -18.27 3.69 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.152 -0.931 . . . . 75.01 110.109 178.831 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -97.86 -51.32 4.11 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.942 0.719 . . . . 73.34 112.942 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 72.1 mm-40 -97.84 -20.23 17.64 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.918 0.71 . . . . 71.44 112.918 -177.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.61 HD13 HG22 ' A' ' 9' ' ' THR . 16.8 mm -101.43 115.42 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.754 0.311 . . . . 72.42 110.752 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.7 p -81.44 171.65 14.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 70.31 111.263 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -60.03 -33.17 71.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 71.22 110.893 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -48.31 81.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.875 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.32 -42.55 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.44 110.932 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.514 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 40.3 t-105 -56.26 -41.31 75.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.262 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.67 80.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.955 -0.566 . . . . 53.14 110.496 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -67.19 -33.98 76.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 75.14 110.168 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.478 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 20.0 t-105 -71.54 -51.66 22.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.817 -0.629 . . . . 55.12 110.373 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 13.5 mm100 -48.15 -40.24 23.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.921 0.391 . . . . 74.45 110.655 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.428 ' O ' HG22 ' A' ' 48' ' ' THR . 30.0 t60 -64.89 -40.82 95.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 61.45 110.556 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 49' ' ' MET . 5.8 tptp -80.96 -19.8 43.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.027 0.441 . . . . 74.13 110.434 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' TRP . 43.3 tt0 -70.02 -52.45 24.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.834 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 45' ' ' HIS . 14.6 t -53.67 -42.93 68.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.099 -0.5 . . . . 74.14 111.792 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.493 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -74.31 -35.78 63.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.726 0.298 . . . . 74.2 110.952 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.655 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 21.3 mt -60.14 -30.67 69.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 72.5 110.355 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.021 HD11 HD11 ' A' ' 67' ' ' LEU . 69.2 mt -82.46 -42.96 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 73.01 110.949 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -72.36 -33.95 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 75.53 111.61 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -81.09 -51.23 8.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.634 0.254 . . . . 72.53 111.074 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -74.41 -6.37 47.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.447 -0.342 . . . . 71.11 110.748 179.714 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.77 59.01 1.19 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 120.889 0.376 . . . . 74.11 110.541 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.902 ' HB2' HG23 ' A' ' 51' ' ' ILE . 72.0 mt -92.75 -178.7 4.93 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.552 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.91 105.6 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.975 0.417 . . . . 70.12 110.728 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.678 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.75 -18.52 21.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.832 -0.622 . . . . 34.55 111.785 -179.577 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.22 -25.58 42.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 74.53 111.012 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' OD1' ' HB3' ' A' ' 62' ' ' GLU . 7.8 t-20 -95.92 121.91 38.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 73.54 110.753 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -58.91 -27.26 65.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 75.0 111.413 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 2.9 tm-20 -67.48 -36.37 81.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.458 -0.337 . . . . 72.21 111.169 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.428 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 26.3 m170 -85.39 -37.62 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 60.41 110.461 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -55.17 -45.15 75.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 71.4 110.25 179.515 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -63.62 -26.51 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.929 -0.578 . . . . 61.24 109.965 179.14 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.88 HD22 HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -64.56 -47.37 78.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.091 -0.504 . . . . 65.44 110.049 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.021 HD11 HD11 ' A' ' 51' ' ' ILE . 3.5 mt -52.57 -42.26 64.33 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.331 -0.618 . . . . 63.34 109.331 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.751 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -55.54 -24.36 31.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.948 -1.024 . . . . 75.24 110.763 179.378 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -80.25 -47.4 14.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.967 -0.56 . . . . 75.11 111.051 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' OE2' HD22 ' A' ' 50' ' ' LEU . 6.7 mt-10 -63.62 -46.24 86.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 62.35 111.446 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.416 ' SD ' ' CE2' ' A' ' 23' ' ' TYR . 2.4 ptm -45.32 -36.41 4.1 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.743 0.306 . . . . 72.11 111.156 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.843 HG13 ' HB2' ' A' ' 76' ' ' PHE . 37.8 t -63.33 -61.93 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.958 0.409 . . . . 73.42 110.526 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.29 -20.24 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 64.34 111.585 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -94.91 -50.44 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.609 0.243 . . . . 74.22 111.633 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 43' ' ' TRP . 1.1 mt -103.25 -42.96 5.58 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.797 0.665 . . . . 74.13 112.797 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.843 ' HB2' HG13 ' A' ' 72' ' ' VAL . 56.6 m-85 -101.71 28.62 5.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.41 0.522 . . . . 73.34 112.41 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.1 tm-20 -65.33 41.18 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.901 0.381 . . . . 71.23 111.655 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 76' ' ' PHE . . . -140.54 -32.01 0.16 Allowed Glycine 0 N--CA 1.445 -0.767 0 C-N-CA 121.336 -0.459 . . . . 72.21 112.057 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -132.58 57.75 1.78 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.895 0.378 . . . . 73.2 110.788 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HA ' HG11 ' A' ' 72' ' ' VAL . 1.2 mt-10 -53.91 -25.1 18.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.174 -0.466 . . . . 72.03 111.116 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.592 ' O ' HG13 ' A' ' 81' ' ' VAL . 12.1 p -87.86 109.14 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.943 -0.571 . . . . 70.23 110.753 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.461 ' C ' HD12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -143.43 112.35 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 72.21 111.402 -179.526 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.461 HD12 ' C ' ' A' ' 82' ' ' HIS . 4.2 mp -147.91 119.02 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 64.22 110.799 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -109.26 132.19 54.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 55.3 110.969 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.4 50.03 7.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 74.03 112.472 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -112.22 119.59 38.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 70.14 110.87 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 p -137.91 100.35 8.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 74.1 111.158 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.05 60.23 4.6 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.471 2.114 . . . . 70.12 112.165 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.94 -55.99 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 73.11 110.742 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -115.78 19.27 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.127 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.94 106.12 5.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 51.34 110.847 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.749 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 120.828 0.347 . . . . 74.34 111.301 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.2 85.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.684 -0.77 . . . . 74.12 112.597 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -131.72 119.53 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 63.22 110.67 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 4' ' ' ARG . 12.4 tpp180 -104.41 98.75 8.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 75.15 110.985 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -124.32 116.36 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 75.42 110.698 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 33' ' ' ASN . 24.0 pt -79.72 -175.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.21 111.407 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -123.91 100.46 6.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 72.41 109.852 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.657 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 31.1 t -59.27 146.18 40.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 65.22 110.865 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.465 HG22 HD13 ' A' ' 35' ' ' ILE . 13.7 t -97.23 -27.05 14.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 73.23 111.157 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 48.2 t80 -74.57 -40.15 61.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.097 0.475 . . . . 73.04 110.105 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.71 -13.38 22.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.618 -0.719 . . . . 73.11 110.859 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 54.89 43.37 30.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.249 -0.432 . . . . 71.4 110.677 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -138.5 -169.13 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.249 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.48 119.02 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.396 . . . . 65.42 110.947 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB3' ' HB3' ' A' ' 36' ' ' SER . . . -125.8 167.5 15.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 54.41 111.096 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -10.68 59.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 72.43 111.492 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.27 -174.1 10.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.615 -0.802 . . . . 53.22 112.566 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.53 177.48 5.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.74 0.305 . . . . 62.42 110.973 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.72 -23.66 8.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.315 -0.402 . . . . 63.02 111.54 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.637 ' CE2' HD11 ' A' ' 22' ' ' LEU . 4.1 p90 -141.65 138.42 32.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.827 0.346 . . . . 75.5 110.914 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.514 ' NE2' ' HA2' ' A' ' 25' ' ' GLY . 9.4 tt0 -67.49 120.77 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.241 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.637 HD11 ' CE2' ' A' ' 20' ' ' PHE . 8.5 mp -94.84 -39.1 10.42 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.15 -0.477 . . . . 71.53 110.554 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.76 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -84.03 169.06 18.19 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.576 -0.738 . . . . 71.5 110.76 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.76 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 2.1 Cg_endo -42.68 -177.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.877 3.052 . . . . 65.33 113.098 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.514 ' HA2' ' NE2' ' A' ' 21' ' ' GLN . . . -81.11 -52.5 4.27 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.798 -0.715 . . . . 62.31 114.644 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.55 -54.64 42.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.981 0.419 . . . . 61.3 111.016 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.684 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -84.2 -51.37 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.266 0.839 . . . . 70.03 113.266 -178.18 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.555 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -44.32 -27.99 1.32 Allowed Glycine 0 C--O 1.23 -0.14 0 C-N-CA 120.525 -0.845 . . . . 70.33 113.687 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -58.0 -60.3 3.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.857 0.328 . . . . 74.43 110.969 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -57.28 -38.78 74.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.49 -0.323 . . . . 74.43 111.538 -179.616 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.664 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 4.0 mt -66.5 -58.26 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.097 0.475 . . . . 73.55 110.284 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -61.17 -19.17 61.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.543 -0.753 . . . . 75.01 111.075 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.453 ' O ' HD12 ' A' ' 6' ' ' ILE . 53.8 m-20 -100.86 -49.36 4.17 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.994 0.739 . . . . 73.34 112.994 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.657 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.4 mm-40 -94.9 -25.36 16.6 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.993 0.738 . . . . 71.44 112.993 -177.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 20.4 mm -100.13 109.81 25.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.984 0.421 . . . . 72.42 111.003 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.474 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 77.5 p -70.41 177.9 3.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.821 -0.627 . . . . 70.31 110.905 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -64.7 -34.48 78.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.399 . . . . 71.22 111.033 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.14 -50.69 69.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 72.33 110.826 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -64.52 -33.74 76.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 63.44 110.698 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.664 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 49.9 t-105 -68.62 -38.26 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.797 -0.638 . . . . 72.4 110.64 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.56 -22.08 66.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 53.14 110.845 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -83.2 -25.68 31.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.291 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.624 ' HB2' HD11 ' A' ' 75' ' ' LEU . 18.3 t-105 -81.53 -49.27 10.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.895 -0.593 . . . . 55.12 110.35 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -48.69 -42.09 33.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.593 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.515 ' O ' HG22 ' A' ' 48' ' ' THR . 50.9 t60 -61.03 -43.34 99.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.132 -0.486 . . . . 61.45 109.914 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 49' ' ' MET . 13.0 tptt -74.71 -21.34 59.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 74.13 110.6 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.666 ' HG3' HD21 ' A' ' 67' ' ' LEU . 5.9 tt0 -70.36 -54.04 14.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 75.45 110.652 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 45' ' ' HIS . 12.7 t -53.64 -38.94 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 74.14 111.813 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -79.62 -43.69 22.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.594 0.235 . . . . 74.2 111.39 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 25.3 mt -55.18 -37.59 67.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.408 . . . . 72.5 110.665 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.797 HG23 ' HB2' ' A' ' 56' ' ' LEU . 83.3 mt -74.49 -39.1 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.009 -0.542 . . . . 73.01 111.253 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -76.73 -29.27 56.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.353 -0.385 . . . . 75.53 111.156 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -86.17 -53.43 5.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.474 -0.33 . . . . 72.53 111.249 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -74.17 -9.47 58.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.413 -0.358 . . . . 71.11 110.713 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.17 63.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 74.11 110.67 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.921 HD21 HD22 ' A' ' 66' ' ' LEU . 52.5 mt -93.85 -173.89 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 75.54 110.905 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -155.51 103.61 2.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 70.12 110.384 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.723 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.17 -21.83 35.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 34.55 111.374 -179.608 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -19.96 47.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.698 0.285 . . . . 74.53 110.835 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -98.77 124.66 43.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 73.54 110.767 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.78 -32.81 73.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.198 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -37.34 82.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 72.21 111.014 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -85.34 -38.72 18.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 60.41 110.79 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.92 -45.95 64.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.36 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -68.82 -22.37 64.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.925 -0.579 . . . . 61.24 110.418 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.921 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -68.96 -37.42 78.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.062 0.458 . . . . 65.44 109.867 179.315 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.666 HD21 ' HG3' ' A' ' 47' ' ' GLN . 0.7 OUTLIER -67.79 -47.29 69.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.884 -0.598 . . . . 63.34 109.711 179.115 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' CA ' ' HE2' ' A' ' 71' ' ' MET . 3.3 pt-20 -60.08 -23.47 63.81 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.708 -0.678 . . . . 75.24 109.976 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -75.23 -46.55 33.1 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.816 -0.629 . . . . 75.11 110.317 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.0 -43.2 75.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.484 . . . . 62.35 110.542 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.563 ' CE ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -47.89 -46.27 31.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.07 -0.514 . . . . 72.11 111.256 -179.771 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.826 HG13 ' HB2' ' A' ' 76' ' ' PHE . 88.7 t -53.78 -57.98 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 121.222 0.534 . . . . 73.42 110.054 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -51.14 -20.21 1.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.629 -0.714 . . . . 64.34 111.033 179.228 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -95.16 -50.06 5.23 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.343 -0.39 . . . . 74.22 111.426 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.26 -46.9 4.47 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.297 0.48 . . . . 74.13 112.297 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.826 ' HB2' HG13 ' A' ' 72' ' ' VAL . 95.1 m-85 -94.92 28.02 2.9 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 112.124 0.416 . . . . 73.34 112.124 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.0 tt0 -68.38 58.6 0.08 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.072 0.463 . . . . 71.23 110.826 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.27 -40.82 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.081 -0.58 . . . . 72.21 112.321 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.77 -39.64 35.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 73.2 110.536 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 51.62 89.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 72.03 111.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.518 ' O ' HG12 ' A' ' 81' ' ' VAL . 5.1 t -85.6 27.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 70.23 111.55 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -161.32 170.09 20.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 72.21 110.39 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.4 mt -135.37 139.88 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 64.22 111.339 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -153.57 172.98 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.563 . . . . 55.3 110.731 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.8 32.88 75.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.578 -0.82 . . . . 74.03 112.385 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -99.23 103.61 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 70.14 110.927 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.2 p -149.09 89.42 4.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.87 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.99 173.51 13.49 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.621 2.214 . . . . 70.12 112.404 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -84.0 -28.58 27.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 73.11 110.933 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 t70 73.79 -62.72 0.45 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.968 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.2 160.88 17.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.402 . . . . 51.34 110.864 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.696 179.816 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.791 0.329 . . . . 74.34 111.132 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.87 -45.21 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.438 -0.887 . . . . 74.12 113.092 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -118.68 133.51 55.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 63.22 111.496 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.2 84.71 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 75.15 110.633 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.554 HG22 ' HG2' ' A' ' 14' ' ' GLU . 7.4 m -134.2 97.53 3.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 75.42 110.552 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 33' ' ' ASN . 28.2 pt -79.4 -173.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.059 -0.519 . . . . 72.21 111.375 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 9.2 t80 -119.39 103.8 9.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.762 -0.654 . . . . 72.41 110.133 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.666 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 43.3 t -67.61 148.45 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.374 . . . . 65.22 110.591 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.505 HG22 ' CD1' ' A' ' 35' ' ' ILE . 13.0 t -97.67 -21.85 16.78 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.846 0.355 . . . . 73.23 111.156 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 46.4 t80 -74.19 -48.52 28.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.034 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -15.2 33.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 73.11 110.627 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 60.34 41.38 16.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 71.4 110.372 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.02 -170.98 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 73.2 110.352 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HG2' HG22 ' A' ' 5' ' ' THR . 4.1 tt0 -104.6 114.87 29.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.442 -0.344 . . . . 65.42 110.904 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.01 168.62 19.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 54.41 111.143 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.38 176.71 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.724 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.76 168.73 21.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.674 -0.774 . . . . 53.22 112.519 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.84 149.37 24.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.868 0.366 . . . . 62.42 110.702 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.19 -27.09 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 63.02 111.539 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -131.37 133.27 45.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.39 . . . . 75.5 111.239 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 38.1 tt0 -59.52 118.66 6.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 75.54 110.966 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HG ' ' NE1' ' A' ' 40' ' ' TRP . 3.0 mm? -73.72 -43.92 57.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.128 -0.487 . . . . 71.53 111.403 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.629 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -95.69 166.08 15.29 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 71.5 110.476 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -92.95 -169.59 0.24 Allowed 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.879 2.386 . . . . 65.33 112.971 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.3 -146.09 0.15 Allowed Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.229 -0.896 . . . . 62.31 114.493 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -75.79 -39.87 56.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.329 -0.436 . . . . 61.3 111.295 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.871 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -50.81 -54.02 27.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.982 -179.746 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.656 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -58.5 -30.68 65.46 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.519 -0.848 . . . . 70.33 112.671 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -43.73 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.623 0.249 . . . . 74.43 111.234 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.871 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.7 ptm180 -69.72 -37.98 76.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 74.43 111.286 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.791 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 5.0 mt -64.47 -59.67 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.551 0.691 . . . . 73.55 109.823 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.49 ' HB2' ' HA ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -56.11 -18.51 10.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.882 -1.054 . . . . 75.01 111.182 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.533 ' O ' HD12 ' A' ' 6' ' ' ILE . 33.7 m-20 -100.41 -55.16 2.67 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.857 0.688 . . . . 73.34 112.857 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.666 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 61.3 mm-40 -95.12 -17.81 21.49 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.751 0.649 . . . . 71.44 112.751 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.619 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 21.8 mm -104.02 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.021 0.439 . . . . 72.42 110.889 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.9 p -59.78 -174.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.64 -0.709 . . . . 70.31 111.039 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -73.13 -35.0 66.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.405 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.53 -49.79 73.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.845 -0.616 . . . . 72.33 111.15 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.94 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 63.44 111.092 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.791 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 28.2 t-105 -63.01 -41.3 99.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 72.4 110.647 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.88 -28.26 69.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 53.14 110.852 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -81.06 -31.24 34.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 75.14 109.902 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.546 ' CZ2' ' HB3' ' A' ' 71' ' ' MET . 22.6 t-105 -72.95 -49.71 27.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.915 -0.584 . . . . 55.12 109.985 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -43.39 32.7 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.996 0.427 . . . . 74.45 110.623 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -65.77 -31.59 72.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.789 -0.642 . . . . 61.45 110.629 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 49' ' ' MET . 1.2 tptt -86.05 -26.55 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 74.13 110.876 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.43 ' O ' HG13 ' A' ' 51' ' ' ILE . 34.0 tt0 -66.49 -51.83 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.967 0.413 . . . . 75.45 110.486 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.2 t -53.0 -38.54 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.846 -0.615 . . . . 74.14 112.129 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 2.0 ptp -80.19 -34.47 37.44 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.074 -0.25 . . . . 74.2 111.321 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 45.8 mt -64.72 -30.94 71.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 72.5 110.531 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.99 HD11 HD11 ' A' ' 67' ' ' LEU . 49.9 mt -77.44 -38.59 26.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 73.01 110.513 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -78.26 -33.83 49.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.783 -0.644 . . . . 75.53 111.301 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -78.66 -54.38 6.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.743 0.306 . . . . 72.53 111.055 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -75.71 -6.18 49.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.319 -0.4 . . . . 71.11 110.635 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm 61.67 61.92 1.37 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.331 -0.395 . . . . 74.11 110.835 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.993 HD21 HD22 ' A' ' 66' ' ' LEU . 52.0 mt -88.11 -174.95 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 75.54 110.404 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.61 101.64 1.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 70.12 110.61 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.71 ' CE ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -56.73 -18.21 11.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.846 -0.616 . . . . 34.55 111.79 -179.306 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -14.1 58.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.577 0.227 . . . . 74.53 111.488 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -115.21 129.51 56.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.962 0.411 . . . . 73.54 110.965 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.98 -34.66 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 75.0 111.349 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -42.8 67.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 72.21 111.398 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.434 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 47.9 m170 -85.65 -33.22 21.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 60.41 111.134 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -52.41 -52.64 52.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 71.4 110.746 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.556 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 3.1 pttp -64.31 -28.89 70.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.961 -0.563 . . . . 61.24 110.889 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.993 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -60.77 -37.82 83.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.967 0.413 . . . . 65.44 109.925 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.99 HD11 HD11 ' A' ' 51' ' ' ILE . 3.2 mt -63.73 -47.94 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 63.34 109.886 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.68 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.91 -24.99 26.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.816 -0.629 . . . . 75.24 110.483 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.41 -48.3 20.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 75.11 110.414 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.35 -49.32 77.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.564 . . . . 62.35 110.926 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.546 ' HB3' ' CZ2' ' A' ' 43' ' ' TRP . 8.9 ptm -50.61 -35.53 30.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.326 -0.397 . . . . 72.11 111.096 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.765 HG13 ' HB2' ' A' ' 76' ' ' PHE . 86.1 t -66.82 -59.49 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 120.927 0.394 . . . . 73.42 110.269 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 4.5 t30 -52.01 -18.93 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 64.34 111.033 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -95.24 -51.13 4.74 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.509 -0.314 . . . . 74.22 111.651 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -103.26 -44.17 5.25 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.421 0.526 . . . . 74.13 112.421 -178.778 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.765 ' HB2' HG13 ' A' ' 72' ' ' VAL . 91.2 m-85 -97.22 28.62 3.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.36 0.504 . . . . 73.34 112.36 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 31.4 tt0 -67.09 59.25 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.192 0.52 . . . . 71.23 110.615 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -167.38 -39.94 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.616 -0.72 . . . . 72.21 111.825 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -117.11 45.75 1.82 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 73.2 110.046 179.379 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.512 ' HG2' HG12 ' A' ' 72' ' ' VAL . 21.1 mt-10 -60.9 83.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.801 -0.636 . . . . 72.03 111.284 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 79' ' ' LYS . 11.9 t -94.35 107.98 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.448 -0.342 . . . . 70.23 110.812 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.409 ' C ' HG13 ' A' ' 83' ' ' ILE . 5.8 p80 -93.75 67.34 3.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.157 0.503 . . . . 72.21 111.236 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 82' ' ' HIS . 16.8 mt -141.94 145.92 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.546 -0.752 . . . . 64.22 110.496 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.78 117.8 18.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 55.3 111.009 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.08 86.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.831 -0.699 . . . . 74.03 112.28 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.45 123.68 48.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 70.14 111.203 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.3 p -114.23 83.5 8.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 74.1 110.505 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -84.84 174.16 7.69 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.739 2.293 . . . . 70.12 112.667 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -69.83 -48.11 60.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 73.11 110.589 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -111.66 148.96 32.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.806 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.538 ' HD2' ' N ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -92.16 120.8 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 51.34 110.973 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.478 -0.328 . . . . 74.24 111.037 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.84 0.352 . . . . 74.34 111.225 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.73 -128.69 1.08 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.874 -0.679 . . . . 74.12 112.395 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.82 123.07 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 63.22 110.903 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.1 144.74 28.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.062 -0.517 . . . . 75.15 110.71 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -132.48 107.5 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.952 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.3 pt -82.35 -175.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 72.21 111.387 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 11.3 t80 -120.76 100.79 7.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.566 . . . . 72.41 110.126 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.8 t -59.32 144.64 45.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.369 -0.378 . . . . 65.22 110.78 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.635 HG22 HD13 ' A' ' 35' ' ' ILE . 14.8 t -97.02 -25.1 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.591 -0.277 . . . . 73.23 111.115 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 54.5 t80 -74.61 -42.71 58.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.029 0.442 . . . . 73.04 110.144 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.62 -13.1 32.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.881 -0.6 . . . . 73.11 110.595 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 57.27 42.6 24.94 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.37 -0.377 . . . . 71.4 110.031 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -141.35 -166.39 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.907 -0.588 . . . . 73.2 110.522 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 1.3 tt0 -111.32 117.86 34.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 65.42 110.949 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HB3' ' CB ' ' A' ' 36' ' ' SER . . . -122.58 -178.49 3.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 54.41 111.272 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.89 -12.75 59.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 72.43 111.453 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 36' ' ' SER . . . 59.56 174.09 0.73 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.625 -0.798 . . . . 53.22 112.43 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -83.73 175.83 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 62.42 110.822 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.06 -26.41 7.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 63.02 111.254 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -142.27 143.15 32.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 75.5 111.089 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 24' ' ' PRO . 20.1 tt0 -66.22 122.05 16.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.99 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.25 -36.8 9.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.522 . . . . 71.53 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.697 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -85.94 169.01 16.75 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.824 -0.625 . . . . 71.5 110.617 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.697 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 3.4 Cg_endo -43.97 -173.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.585 2.857 . . . . 65.33 113.109 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.96 -74.57 0.57 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 115.466 0.946 . . . . 62.31 115.466 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -53.95 -55.65 25.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.504 0.557 . . . . 61.3 112.504 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.74 HD22 ' HE3' ' A' ' 71' ' ' MET . 5.5 mt -74.46 -54.61 7.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.757 0.651 . . . . 70.03 112.757 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.858 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -50.19 -20.5 3.44 Favored Glycine 0 C--O 1.229 -0.179 0 C-N-CA 120.203 -0.999 . . . . 70.33 113.673 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -57.22 5.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.066 0.433 . . . . 74.43 111.121 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.672 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 8.2 ptp180 -58.36 -37.46 75.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.667 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.858 HD12 ' HA2' ' A' ' 28' ' ' GLY . 5.0 mt -63.73 -55.52 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 121.642 0.734 . . . . 73.55 109.596 178.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -20.5 38.15 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.584 -1.189 . . . . 75.01 110.811 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -100.56 -53.38 3.1 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.101 0.778 . . . . 73.34 113.101 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.571 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -95.1 -24.21 16.97 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.976 0.732 . . . . 71.44 112.976 -178.006 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.635 HD13 HG22 ' A' ' 9' ' ' THR . 17.6 mm -99.49 98.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.953 0.406 . . . . 72.42 110.79 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.414 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 80.3 p -62.69 -179.32 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.895 -0.593 . . . . 70.31 111.046 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -69.67 -34.8 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.22 111.124 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -60.25 -50.97 71.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.959 0.409 . . . . 72.33 110.459 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.87 78.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 63.44 110.56 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.722 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 31.2 t-105 -62.81 -47.1 84.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.601 . . . . 72.4 110.812 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.39 -21.42 36.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 53.14 111.194 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -82.05 -34.95 29.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.883 0.373 . . . . 75.14 110.04 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 17.2 t-105 -72.84 -51.78 17.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 55.12 110.121 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -46.18 -43.42 15.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.948 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.492 ' O ' HG22 ' A' ' 48' ' ' THR . 51.8 t60 -61.66 -42.6 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 61.45 110.55 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 0.8 OUTLIER -78.16 -24.44 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 74.13 110.822 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.411 ' HG3' HD13 ' A' ' 67' ' ' LEU . 8.0 tt0 -65.96 -51.54 57.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 75.45 111.012 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 45' ' ' HIS . 14.3 t -54.63 -41.98 70.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.432 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.436 ' SD ' ' HA ' ' A' ' 46' ' ' LYS . 2.8 ptm -77.78 -29.44 50.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.626 0.251 . . . . 74.2 110.859 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.653 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 13.1 mt -65.94 -29.22 69.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 72.5 110.251 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.879 HD11 HD11 ' A' ' 67' ' ' LEU . 63.2 mt -83.67 -37.26 13.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.037 -0.529 . . . . 73.01 110.655 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -73.14 -49.03 30.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.968 -0.56 . . . . 75.53 111.186 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.74 -53.55 26.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 72.53 111.405 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.653 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -73.22 -13.97 61.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.339 . . . . 71.11 110.909 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt 66.86 63.09 0.49 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.345 -0.389 . . . . 74.11 111.107 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.827 ' HB2' HG23 ' A' ' 51' ' ' ILE . 73.3 mt -93.37 179.51 5.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.446 -0.343 . . . . 75.54 110.423 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -144.39 108.88 4.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.779 0.323 . . . . 70.12 110.814 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.803 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.45 -21.81 65.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 34.55 111.692 -179.37 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -28.75 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 74.53 110.988 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.74 125.99 38.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.352 -0.386 . . . . 73.54 110.703 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -63.9 -28.72 70.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 75.0 111.391 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.15 -40.94 82.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.326 -0.397 . . . . 72.21 111.433 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.421 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 39.6 m170 -85.65 -38.53 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 60.41 110.889 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.89 -46.01 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 71.4 110.384 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -65.66 -28.34 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 61.24 110.333 179.343 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.551 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -64.46 -45.13 88.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.013 -0.54 . . . . 65.44 110.408 179.484 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.879 HD11 HD11 ' A' ' 51' ' ' ILE . 3.4 mt -55.35 -47.15 76.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.026 -0.534 . . . . 63.34 110.536 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 10.8 mt-10 -50.77 -25.75 4.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 75.24 110.605 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -52.59 10.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 75.11 111.115 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -56.15 -52.04 65.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 62.35 111.256 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.74 ' HE3' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -43.67 -42.45 5.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.081 -0.509 . . . . 72.11 111.761 -179.322 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.813 HG13 ' HB2' ' A' ' 76' ' ' PHE . 97.3 t -54.57 -57.53 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.905 0.383 . . . . 73.42 110.592 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 3.1 t30 -51.8 -20.34 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 64.34 111.419 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.433 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 27.4 t80 -95.4 -51.24 4.66 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.926 0.343 . . . . 74.22 111.926 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -101.95 -45.13 5.29 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.55 0.574 . . . . 74.13 112.55 -178.581 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.813 ' HB2' HG13 ' A' ' 72' ' ' VAL . 49.5 m-85 -97.78 28.58 3.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.315 0.487 . . . . 73.34 112.315 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -67.8 60.26 0.07 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.47 -0.787 . . . . 71.23 110.683 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -166.96 -37.16 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.658 -0.701 . . . . 72.21 112.119 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -91.59 -44.15 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 73.2 110.7 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 54.94 102.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 72.03 110.918 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' HG12 ' A' ' 81' ' ' VAL . 16.4 t -83.02 10.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 70.23 111.749 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -139.94 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.369 . . . . 72.21 110.945 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.83 128.74 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 64.22 111.024 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.89 59.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 55.3 110.671 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.15 52.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.719 . . . . 74.03 112.324 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -94.07 156.57 16.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.935 0.398 . . . . 70.14 111.062 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.7 p -123.39 85.73 52.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 74.1 110.812 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.51 -177.07 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.495 2.13 . . . . 70.12 112.325 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -52.33 5.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.992 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 60.43 29.68 19.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.366 -0.379 . . . . 74.42 110.915 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.95 114.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 51.34 110.51 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 74.24 111.138 -179.714 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 120.825 0.345 . . . . 74.34 111.257 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.21 79.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.767 . . . . 74.12 112.557 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.53 135.97 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.672 0.273 . . . . 63.22 110.751 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.01 169.14 10.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.385 -0.371 . . . . 75.15 111.235 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -122.26 117.05 25.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 75.42 110.275 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.4 pt -80.64 -178.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.138 0.494 . . . . 72.21 111.56 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -117.95 95.8 5.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.568 -0.742 . . . . 72.41 109.766 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.71 147.16 34.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 65.22 110.751 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.602 HG22 HD13 ' A' ' 35' ' ' ILE . 15.3 t -97.93 -24.2 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 73.23 110.972 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -74.52 -45.5 45.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.04 110.23 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -88.78 -17.11 30.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.895 -0.593 . . . . 73.11 110.482 179.048 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 60.62 41.29 15.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 71.4 110.143 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.29 -174.84 4.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 73.2 110.419 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -99.09 113.23 25.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.691 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.62 158.29 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 54.41 110.878 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.08 -19.78 47.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 72.43 111.284 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.09 -167.8 54.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.763 . . . . 53.22 112.437 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.67 179.86 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 62.42 110.828 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -122.56 -26.48 4.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 63.02 111.513 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -134.04 134.87 42.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 75.5 111.44 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 21.5 tt0 -60.72 127.96 34.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 75.54 110.753 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD13 ' NE1' ' A' ' 40' ' ' TRP . 1.9 mt -93.18 -41.19 10.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 71.53 111.184 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.646 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -94.82 166.97 13.96 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.408 -0.36 . . . . 71.5 110.116 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.535 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 11.1 Cg_endo -93.85 -176.72 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.966 2.444 . . . . 65.33 113.006 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.12 -141.95 5.12 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.43 -0.805 . . . . 62.31 114.145 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -81.2 -39.42 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.525 -0.338 . . . . 61.3 111.326 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.793 ' HG ' ' HG3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -49.62 -54.2 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.103 0.478 . . . . 70.03 110.557 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.646 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.85 -30.99 60.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.298 -0.953 . . . . 70.33 111.368 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -50.99 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 74.43 110.212 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.655 ' HD2' HD13 ' A' ' 27' ' ' LEU . 4.8 ptp180 -63.81 -42.2 97.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 74.43 110.955 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.759 HD11 HD12 ' A' ' 27' ' ' LEU . 10.5 mt -62.05 -56.75 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.586 0.707 . . . . 73.55 109.408 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.59 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -58.45 -18.46 28.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.847 -1.07 . . . . 75.01 109.719 178.137 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -91.9 -64.44 1.11 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.71 0.633 . . . . 73.34 112.71 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.6 -12.35 27.63 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.957 0.725 . . . . 71.44 112.957 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.616 HG21 HD22 ' A' ' 75' ' ' LEU . 16.0 mm -108.27 92.93 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.982 0.42 . . . . 72.42 111.035 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 p -60.82 -178.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 70.31 110.73 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -68.44 -32.05 71.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.387 -0.369 . . . . 71.22 111.241 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.53 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.1 tt0 -61.76 -45.36 94.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.4 -0.364 . . . . 72.33 111.074 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.87 -37.89 64.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 63.44 110.751 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 54.5 t-105 -61.96 -33.07 73.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 72.4 110.838 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.48 -27.53 66.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 53.14 111.067 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -77.29 -33.86 55.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.047 0.451 . . . . 75.14 109.995 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 19.8 t-105 -70.97 -50.22 36.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.885 -0.598 . . . . 55.12 110.106 179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -52.75 -38.44 60.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.378 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.428 ' O ' HG22 ' A' ' 48' ' ' THR . 12.1 t-80 -64.3 -32.21 73.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.754 -0.657 . . . . 61.45 110.138 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 7.5 tptt -87.78 -25.35 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 74.13 110.783 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.613 ' HG3' HD21 ' A' ' 67' ' ' LEU . 21.1 tt0 -60.69 -51.41 69.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 75.45 110.295 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 45' ' ' HIS . 12.1 t -49.45 -43.73 45.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 74.14 111.524 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 5.3 ptp -78.01 -35.57 49.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 74.2 110.879 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.552 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 17.0 mt -63.94 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.391 . . . . 72.5 110.546 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.827 HG23 ' HB2' ' A' ' 56' ' ' LEU . 64.9 mt -83.16 -46.33 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 73.01 111.135 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -71.07 -27.26 63.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 75.53 111.454 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -86.26 -54.0 4.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.505 -0.316 . . . . 72.53 111.502 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -75.04 -5.61 45.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.556 -0.293 . . . . 71.11 111.391 -179.645 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER 66.75 60.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 74.11 110.897 -179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.827 ' HB2' HG23 ' A' ' 51' ' ' ILE . 90.5 mt -97.72 170.9 8.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 75.54 110.148 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -145.12 105.53 4.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 70.12 111.036 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.601 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -55.49 -19.11 8.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 34.55 111.57 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -28.36 41.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.762 0.315 . . . . 74.53 110.645 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.44 105.55 17.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.479 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -45.87 -30.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 75.0 111.639 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 14.1 tp10 -64.11 -33.97 76.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 72.21 111.258 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -85.38 -39.22 17.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.257 -0.429 . . . . 60.41 110.824 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -38.63 60.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.346 -0.388 . . . . 71.4 110.269 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 11.1 ptpt -75.26 -26.85 59.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 61.24 110.065 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.59 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -61.84 -43.44 98.84 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.281 -0.637 . . . . 65.44 109.281 178.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD21 ' HG3' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -60.08 -33.95 72.79 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.04 -0.726 . . . . 63.34 109.04 178.309 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.793 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 42.9 tt0 -61.85 -21.92 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.233 -0.894 . . . . 75.24 110.161 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -82.42 -49.99 9.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 75.11 110.888 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -64.6 -32.59 74.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 62.35 110.989 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.487 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 3.1 ptm -56.85 -34.18 67.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.403 -0.362 . . . . 72.11 111.377 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.828 HG13 ' HB2' ' A' ' 76' ' ' PHE . 86.3 t -62.16 -59.51 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 73.42 110.565 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 49.4 t-20 -50.51 -19.67 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 64.34 111.389 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -95.32 -50.46 5.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.493 -0.322 . . . . 74.22 111.656 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.616 HD22 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -103.4 -45.17 4.94 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.775 0.657 . . . . 74.13 112.775 -178.418 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.828 ' HB2' HG13 ' A' ' 72' ' ' VAL . 54.7 m-85 -97.81 28.58 3.8 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.03 0.382 . . . . 73.34 112.03 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 1.3 tt0 -66.29 58.25 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.857 -0.61 . . . . 71.23 111.113 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -175.17 -43.11 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.943 -0.646 . . . . 72.21 112.51 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.2 -35.93 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 73.2 110.816 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 56.19 81.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 72.03 110.933 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.2 t -71.61 130.71 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.237 -0.438 . . . . 70.23 110.616 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -93.59 126.41 38.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.327 -0.397 . . . . 72.21 111.175 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.6 105.98 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 64.22 110.84 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.39 169.5 17.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 55.3 111.006 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.56 20.84 70.28 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.758 -0.734 . . . . 74.03 112.416 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -95.96 111.42 23.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 70.14 110.709 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 p -122.57 109.17 32.83 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 74.1 111.033 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.16 127.96 11.76 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.515 2.143 . . . . 70.12 112.47 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.59 -42.55 22.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.731 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -126.57 122.41 35.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 74.42 110.602 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -163.87 -44.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 51.34 111.124 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 74.24 111.023 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ttm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.825 0.345 . . . . 74.34 111.158 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.07 74.18 0.51 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.708 -0.758 . . . . 74.12 112.527 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.08 121.7 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 63.22 111.112 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.477 ' H ' ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -61.41 149.45 38.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.724 -0.671 . . . . 75.15 110.774 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.47 HG22 ' HG2' ' A' ' 14' ' ' GLU . 18.5 m -119.55 113.83 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 75.42 110.663 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.9 pt -80.98 -177.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 72.21 111.196 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 4.6 t80 -118.96 100.46 7.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.921 -0.581 . . . . 72.41 110.001 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 22.8 t -62.32 145.8 52.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 65.22 110.782 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.522 HG22 HD13 ' A' ' 35' ' ' ILE . 13.5 t -96.89 -22.21 17.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 73.23 110.629 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -74.3 -44.89 50.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 73.04 109.842 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -92.43 -18.46 23.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.577 -0.738 . . . . 73.11 110.628 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 62.36 41.17 10.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 71.4 110.485 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HD2' ' HB3' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -140.24 -173.82 3.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 73.2 110.372 179.123 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' HG2' HG22 ' A' ' 5' ' ' THR . 3.6 tt0 -103.51 112.71 25.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 65.42 110.764 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' HG23 ' A' ' 5' ' ' THR . . . -120.96 158.94 26.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 54.41 111.286 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.03 -22.12 36.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 72.43 111.433 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.46 -151.88 52.0 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.795 -0.717 . . . . 53.22 112.869 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HG3' ' HG2' ' A' ' 37' ' ' LYS . 9.7 mp0 -116.44 167.14 11.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.85 0.357 . . . . 62.42 110.977 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -106.86 -23.57 12.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 63.02 111.182 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -138.41 144.24 40.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 75.5 111.016 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 45.5 tt0 -64.21 118.69 8.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.81 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.401 HD12 ' NE1' ' A' ' 40' ' ' TRP . 20.5 mt -84.32 -36.93 22.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 71.53 111.579 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.65 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -100.97 164.09 16.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.607 0.242 . . . . 71.5 110.544 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 9.0 Cg_endo -92.21 -165.41 0.15 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.901 2.401 . . . . 65.33 112.718 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.63 -148.81 0.52 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.392 -0.822 . . . . 62.31 114.128 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -81.51 -38.13 26.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.135 -0.533 . . . . 61.3 111.581 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.647 HD22 ' SD ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -56.08 -46.06 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 70.03 110.5 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.615 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -58.07 -34.84 74.21 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.17 -1.014 . . . . 70.33 111.856 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -41.94 77.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.564 0.221 . . . . 74.43 110.985 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 16.2 ptm180 -70.07 -43.8 70.41 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.615 -0.266 . . . . 74.43 110.936 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.624 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 6.5 mt -60.12 -53.51 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 CA-C-O 121.628 0.728 . . . . 73.55 109.434 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -60.15 -18.26 46.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.684 -1.144 . . . . 75.01 109.97 178.538 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -96.54 -54.87 3.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.906 0.706 . . . . 73.34 112.906 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 20.3 mt-10 -94.68 -16.17 23.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.794 0.665 . . . . 71.44 112.794 -177.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.587 ' CG2' HD22 ' A' ' 75' ' ' LEU . 15.2 mm -109.34 127.35 66.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.887 0.375 . . . . 72.42 110.585 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -94.49 178.28 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 70.31 111.202 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HG2' ' HG3' ' A' ' 18' ' ' GLN . 4.3 mttm -63.04 -37.08 85.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 71.22 110.973 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 2.4 tt0 -57.83 -44.82 86.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.866 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.21 -36.76 29.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.496 -0.32 . . . . 63.44 110.849 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.624 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 52.8 t-105 -62.64 -38.16 89.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 72.4 110.35 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.0 94.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.117 -0.492 . . . . 53.14 110.345 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 17.3 mt-30 -64.18 -33.23 75.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 75.14 110.215 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.684 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 26.1 t-105 -70.38 -49.87 44.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 55.12 110.489 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.75 -50.68 43.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 74.45 110.515 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -57.56 -31.86 66.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.933 -0.576 . . . . 61.45 110.351 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 3.2 tppt? -83.68 -28.79 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 74.13 110.594 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.573 ' HA ' HD11 ' A' ' 67' ' ' LEU . 24.2 tt0 -62.18 -53.84 49.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 75.45 110.465 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 49' ' ' MET . 13.9 t -53.58 -48.67 68.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.846 -0.615 . . . . 74.14 111.623 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.467 ' N ' HG23 ' A' ' 48' ' ' THR . 20.0 ptm -66.68 -35.17 79.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 74.2 111.167 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.617 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 15.6 mt -58.91 -34.65 71.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.021 0.439 . . . . 72.5 110.386 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.795 HG23 ' HB2' ' A' ' 56' ' ' LEU . 52.0 mt -80.66 -37.85 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 73.01 111.074 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -73.11 -40.31 65.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.89 -0.596 . . . . 75.53 111.649 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -78.56 -54.34 6.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.642 -0.254 . . . . 72.53 111.572 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.4 -8.51 54.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.603 0.239 . . . . 71.11 111.238 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? 63.87 60.37 1.05 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.806 0.336 . . . . 74.11 110.975 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.948 HD21 HD22 ' A' ' 66' ' ' LEU . 81.9 mt -92.85 -175.77 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.536 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.85 102.13 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.945 0.402 . . . . 70.12 110.821 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.735 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -61.79 -14.08 29.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 34.55 111.58 -179.7 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 ttm -79.43 -8.67 59.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.707 0.289 . . . . 74.53 110.808 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.48 124.88 46.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 73.54 110.493 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.456 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -54.0 -35.53 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 75.0 111.36 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -54.43 -43.19 71.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.393 . . . . 72.21 111.474 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -85.58 -39.2 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 60.41 110.996 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -47.11 -48.9 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 71.4 110.999 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -65.89 -26.92 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 61.24 110.838 179.838 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.948 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -55.09 -44.18 74.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.375 -0.375 . . . . 65.44 110.702 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.684 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -61.89 -45.19 94.81 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.82 -0.437 . . . . 63.34 109.82 179.191 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.609 ' CG ' HD13 ' A' ' 27' ' ' LEU . 18.6 tt0 -57.76 -21.58 42.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.781 -0.645 . . . . 75.24 110.138 179.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -80.38 -50.37 10.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.789 -0.641 . . . . 75.11 110.622 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.82 -25.63 67.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 62.35 111.534 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.647 ' SD ' HD22 ' A' ' 27' ' ' LEU . 3.1 ptm -58.39 -33.98 70.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 72.11 110.97 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.784 HG13 ' HB2' ' A' ' 76' ' ' PHE . 83.6 t -63.51 -59.71 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.204 0.526 . . . . 73.42 109.776 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -48.46 -22.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.717 -0.674 . . . . 64.34 111.52 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -93.39 -53.11 4.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.525 -0.307 . . . . 74.22 111.667 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD22 ' CG2' ' A' ' 35' ' ' ILE . 1.1 mt -101.97 -39.57 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.845 0.683 . . . . 74.13 112.845 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.784 ' HB2' HG13 ' A' ' 72' ' ' VAL . 30.8 m-85 -101.67 28.72 5.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.94 0.4 . . . . 73.34 111.606 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 tt0 -66.74 59.44 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.586 -0.733 . . . . 71.23 110.703 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -161.74 -41.09 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.879 -0.889 . . . . 72.21 110.879 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.7 79.19 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.481 -0.563 . . . . 73.2 109.481 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.32 90.54 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 72.03 111.627 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 81' ' ' VAL . 8.4 t -89.6 41.57 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.206 -0.452 . . . . 70.23 110.352 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.34 116.35 28.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.049 -0.523 . . . . 72.21 110.892 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.493 HG21 ' CD1' ' A' ' 86' ' ' TYR . 2.8 mp -137.96 139.21 42.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.806 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.97 78.29 9.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 55.3 110.965 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.28 72.14 0.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.816 -0.707 . . . . 74.03 112.653 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CD1' HG21 ' A' ' 83' ' ' ILE . 1.1 t80 -127.91 110.77 12.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 70.14 110.842 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.55 87.83 27.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.1 110.789 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.13 93.8 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.595 2.196 . . . . 70.12 112.365 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.37 -38.52 17.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 73.11 110.769 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.05 101.29 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 74.42 110.793 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -69.36 83.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 51.34 110.901 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 74.24 110.906 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 mtp . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.755 0.312 . . . . 74.34 111.233 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 126.49 -164.26 20.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 74.12 112.433 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -119.77 128.58 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.322 . . . . 63.22 110.745 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -92.7 96.41 10.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 75.15 110.851 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.9 m -89.4 114.01 25.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 75.42 110.513 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt -80.08 -175.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 72.21 111.34 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 7.0 t80 -119.66 96.73 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 72.41 110.265 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 24.4 t -59.46 146.66 39.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 65.22 110.849 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.588 HG22 HD13 ' A' ' 35' ' ' ILE . 15.2 t -98.03 -24.53 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 73.23 110.729 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -74.38 -45.0 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.112 0.482 . . . . 73.04 109.965 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.0 -18.75 28.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.64 -0.709 . . . . 73.11 110.728 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 62.48 40.49 10.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.417 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -142.17 -171.17 3.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.972 -0.558 . . . . 73.2 110.39 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -106.88 114.22 28.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 65.42 110.45 179.646 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.98 158.97 43.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.052 0.454 . . . . 54.41 111.663 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 176.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 72.43 110.799 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -128.72 -172.9 13.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.55 -0.833 . . . . 53.22 112.791 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.0 143.61 32.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 62.42 110.529 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -27.62 35.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 63.02 111.29 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -130.11 132.76 46.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.351 . . . . 75.5 111.24 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 26.9 tt0 -60.55 137.35 58.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.622 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.2 mt -96.75 -42.25 8.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 71.53 111.365 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.647 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -93.92 160.43 32.45 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.352 -0.385 . . . . 71.5 110.262 179.643 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.604 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 24.5 Cg_endo -89.29 -176.48 1.33 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.55 2.167 . . . . 65.33 113.195 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.96 -139.79 1.99 Allowed Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.182 -0.917 . . . . 62.31 114.267 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.644 ' HG3' ' HA ' ' A' ' 84' ' ' GLU . 4.3 mm-40 -81.44 -43.36 19.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.324 -0.438 . . . . 61.3 111.977 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 68' ' ' GLU . 3.7 mt -47.11 -45.8 22.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.902 0.382 . . . . 70.03 110.211 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.68 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -65.44 -32.17 82.61 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.687 -0.768 . . . . 70.33 112.252 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 4.8 ttpp -61.35 -55.71 28.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 74.43 110.318 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 1.8 ptp180 -59.92 -42.44 93.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.015 -0.538 . . . . 74.43 112.106 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.804 HD11 ' HE1' ' A' ' 71' ' ' MET . 8.0 mt -60.51 -59.27 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-O 121.654 0.74 . . . . 73.55 109.879 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.8 -17.9 27.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.73 -1.123 . . . . 75.01 110.371 179.011 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.2 m-80 -95.51 -61.25 1.5 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.389 0.514 . . . . 73.34 112.389 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.562 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 mm-40 -94.59 -15.96 23.63 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.904 0.705 . . . . 71.44 112.904 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.588 HD13 HG22 ' A' ' 9' ' ' THR . 13.0 mm -105.0 94.61 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 72.42 110.6 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 p -58.46 -177.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.044 -0.525 . . . . 70.31 110.793 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -27.48 62.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 71.22 110.812 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -47.11 72.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 72.33 110.783 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.43 -40.62 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 63.44 110.975 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.468 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 32.5 t-105 -60.28 -35.88 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.779 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.19 -23.25 65.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 53.14 111.093 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -80.1 -27.87 39.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.385 . . . . 75.14 110.224 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.704 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 24.9 t-105 -81.46 -52.82 6.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.038 -0.528 . . . . 55.12 110.342 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -48.0 -40.27 22.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 74.45 110.581 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -65.22 -33.01 74.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.847 -0.615 . . . . 61.45 110.037 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' O ' ' HG3' ' A' ' 49' ' ' MET . 9.7 tptt -86.39 -19.53 29.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.853 -0.612 . . . . 74.13 110.639 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.498 ' HA ' HD11 ' A' ' 67' ' ' LEU . 2.2 tt0 -70.01 -46.91 64.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 75.45 110.516 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 t -57.53 -40.87 79.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.994 -0.548 . . . . 74.14 111.788 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.564 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -74.11 -37.3 64.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.692 0.282 . . . . 74.2 111.235 -179.578 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.582 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 50.0 mt -62.25 -28.96 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 72.5 110.818 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.814 HG21 ' CE ' ' A' ' 58' ' ' MET . 70.6 mt -84.16 -36.07 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.013 0.435 . . . . 73.01 110.942 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -77.88 -32.55 51.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.734 -0.667 . . . . 75.53 111.161 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -82.68 -54.46 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 72.53 111.404 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -72.31 -8.42 54.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.541 -0.3 . . . . 71.11 111.094 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt 65.69 60.81 0.7 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.842 0.354 . . . . 74.11 110.418 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.737 ' HB2' HG23 ' A' ' 51' ' ' ILE . 72.6 mt -95.26 -175.74 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 75.54 110.587 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' H ' ' HB3' ' A' ' 63' ' ' HIS . 1.0 OUTLIER -152.76 106.14 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.431 -0.349 . . . . 70.12 110.692 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.814 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -61.92 -11.53 13.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 34.55 111.713 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 ttt -79.46 -20.63 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.729 0.299 . . . . 74.53 110.692 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.49 132.04 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.54 110.564 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.05 -29.83 71.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 75.0 111.172 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -65.32 -35.59 81.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 72.21 110.879 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.414 ' HB3' ' H ' ' A' ' 57' ' ' ASN . 35.1 m170 -85.17 -36.21 21.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 60.41 110.723 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HA ' HH11 ' A' ' 64' ' ' ARG . 1.1 tpt85 -57.86 -42.29 84.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.4 110.412 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.689 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -68.18 -17.32 64.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.829 -0.623 . . . . 61.24 110.782 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.493 HD22 HD11 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -68.06 -43.78 77.85 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.668 -0.413 . . . . 65.44 109.931 179.27 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD21 ' CG1' ' A' ' 51' ' ' ILE . 2.7 mm? -62.59 -47.8 82.21 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.615 -0.513 . . . . 63.34 109.615 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 7.0 pt-20 -60.91 -22.17 64.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.877 -0.601 . . . . 75.24 109.972 178.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -76.41 -47.73 22.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.833 -0.621 . . . . 75.11 110.164 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.68 -37.99 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.867 -0.606 . . . . 62.35 110.654 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.804 ' HE1' HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -47.39 -39.37 15.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.317 -0.401 . . . . 72.11 110.9 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.776 HG13 ' HB2' ' A' ' 76' ' ' PHE . 93.7 t -58.23 -58.07 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.131 0.491 . . . . 73.42 110.396 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -51.22 -20.74 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.852 -0.613 . . . . 64.34 111.479 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -95.79 -49.48 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.784 0.29 . . . . 74.22 111.784 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.22 -46.35 4.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.333 0.494 . . . . 74.13 112.333 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.776 ' HB2' HG13 ' A' ' 72' ' ' VAL . 48.1 m-85 -96.95 28.84 3.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.322 -0.399 . . . . 73.34 112.024 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.7 tm-20 -66.37 50.02 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.74 -0.663 . . . . 71.23 111.138 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -147.3 -36.09 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.231 -0.748 . . . . 72.21 111.231 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.83 65.46 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.985 0.421 . . . . 73.2 110.267 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.541 ' HA ' HG11 ' A' ' 72' ' ' VAL . 3.7 mt-10 -53.49 -23.43 10.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.927 -0.578 . . . . 72.03 111.467 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 81' ' ' VAL . 11.2 p -75.41 108.49 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.287 -0.415 . . . . 70.23 110.913 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.74 151.6 37.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 72.21 111.258 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.2 mt -135.5 143.22 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 64.22 110.999 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.644 ' HA ' ' HG3' ' A' ' 26' ' ' GLU . 18.6 mm-40 -115.58 147.16 41.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 55.3 111.359 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.8 -31.75 6.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.823 -0.703 . . . . 74.03 112.331 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.06 108.54 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 70.14 110.998 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.78 104.81 52.43 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.991 -0.549 . . . . 74.1 110.618 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.54 23.07 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.369 2.046 . . . . 70.12 112.889 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -71.15 -34.2 70.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.975 0.417 . . . . 73.11 110.753 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.71 -25.35 66.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 74.42 111.067 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.85 98.92 8.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 51.34 110.887 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.043 -0.526 . . . . 74.24 111.11 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ttm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.726 0.298 . . . . 74.34 111.376 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.7 112.51 0.26 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.477 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 m -140.09 163.37 32.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 63.22 111.071 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -71.49 119.34 15.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.531 . . . . 75.15 110.987 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.436 HG23 ' C ' ' A' ' 15' ' ' ALA . 5.9 m -91.84 119.34 31.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.988 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.5 pt -82.32 179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.163 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 10.8 t80 -112.19 96.69 6.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.518 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 19.3 t -59.21 150.23 26.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 65.22 110.789 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.567 HG22 HD13 ' A' ' 35' ' ' ILE . 14.3 t -101.51 -22.05 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.334 . . . . 73.23 110.892 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 29.3 t80 -74.16 -47.71 34.06 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.824 -0.435 . . . . 73.04 109.824 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' ' 38' ' ' GLU . 3.8 mt -89.02 -17.39 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.664 -0.698 . . . . 73.11 110.891 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 62.5 39.98 11.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 71.4 110.215 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -138.91 -169.63 2.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.769 -0.65 . . . . 73.2 110.109 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.4 tt0 -109.84 113.94 27.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.442 -0.344 . . . . 65.42 110.679 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' C ' HG23 ' A' ' 5' ' ' THR . . . -134.5 168.41 19.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 54.41 111.541 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -55.88 167.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.893 -0.594 . . . . 72.43 111.062 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.32 152.69 17.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.678 -0.772 . . . . 53.22 112.371 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 10.2 mp0 -69.47 161.43 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 62.42 110.89 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -90.89 -34.29 15.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 63.02 110.963 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -139.73 153.26 47.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 75.5 111.144 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' OE1' ' HG3' ' A' ' 29' ' ' LYS . 10.4 tt0 -68.13 118.77 11.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 75.54 110.948 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.674 HD12 ' NE1' ' A' ' 40' ' ' TRP . 13.5 mt -81.21 -34.03 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 71.53 110.42 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.616 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -98.16 165.23 15.69 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 71.5 109.923 179.185 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 10.9 Cg_endo -94.31 -172.38 0.28 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 123.033 2.489 . . . . 65.33 113.595 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.47 -142.86 1.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.255 -0.884 . . . . 62.31 114.116 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -80.9 -38.4 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.527 -0.337 . . . . 61.3 111.183 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.895 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -50.27 -54.32 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 70.03 110.659 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.801 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -57.85 -31.52 64.61 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.173 -1.013 . . . . 70.33 111.549 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -63.1 -55.57 24.26 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.161 -0.311 . . . . 74.43 110.161 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 12.2 ptp180 -60.46 -40.77 92.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.162 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.895 HD11 HD12 ' A' ' 27' ' ' LEU . 10.1 mt -60.88 -62.99 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-O 121.539 0.685 . . . . 73.55 109.693 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -56.87 -18.36 12.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.844 -1.071 . . . . 75.01 110.703 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.8 m-80 -96.9 -58.85 1.93 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.005 0.742 . . . . 73.34 113.005 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 5.7 mm-40 -94.89 -17.46 22.02 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.01 0.745 . . . . 71.44 113.01 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.567 HD13 HG22 ' A' ' 9' ' ' THR . 22.1 mm -103.26 100.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.185 0.517 . . . . 72.42 111.337 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 m -64.15 172.11 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.592 -0.731 . . . . 70.31 110.768 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -31.03 71.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.313 -0.403 . . . . 71.22 111.045 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HB3' HD11 ' A' ' 11' ' ' LEU . 2.1 tt0 -61.69 -41.0 96.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 72.33 110.785 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -79.82 -43.67 21.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 63.44 111.104 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.696 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.8 t-105 -55.43 -35.51 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.975 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.0 -50.7 69.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 53.14 110.118 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.88 -36.12 64.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 75.14 110.324 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.721 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 36.7 t-105 -68.92 -58.31 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 55.12 110.699 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.18 -42.56 14.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.304 -0.407 . . . . 74.45 110.751 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -66.5 -31.91 72.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 61.45 110.141 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 4.3 tptp -83.07 -26.54 31.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.99 -0.55 . . . . 74.13 110.207 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' TRP . 4.8 tt0 -66.57 -50.01 64.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.502 . . . . 75.45 110.811 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.4 t -56.74 -43.47 80.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.593 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 6.4 ptp -70.86 -38.54 73.14 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 121.117 -0.233 . . . . 74.2 111.137 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.648 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 31.9 mt -58.4 -42.31 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.0 0.429 . . . . 72.5 110.323 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.746 HG23 ' HB2' ' A' ' 56' ' ' LEU . 85.4 mt -69.94 -36.78 70.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.081 -0.509 . . . . 73.01 111.592 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -73.27 -48.1 37.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.416 -0.356 . . . . 75.53 111.105 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.65 -53.81 14.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.473 -0.33 . . . . 72.53 110.96 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.21 -15.06 61.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.797 0.332 . . . . 71.11 110.854 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 66.5 62.54 0.54 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.284 -0.416 . . . . 74.11 110.961 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.746 ' HB2' HG23 ' A' ' 51' ' ' ILE . 63.6 mt -91.97 -170.45 2.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.505 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.88 101.59 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 70.12 110.79 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.712 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -58.9 -18.31 32.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 34.55 111.462 -179.624 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtm -79.29 -19.44 50.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 74.53 110.698 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -102.83 118.81 37.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 73.54 110.66 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -55.71 -27.78 52.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 75.0 111.208 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -65.97 -36.67 83.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.41 -0.359 . . . . 72.21 110.792 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -85.45 -42.78 14.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.226 -0.443 . . . . 60.41 110.856 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.545 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.94 -43.11 63.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 71.4 110.556 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -64.48 -24.09 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 61.24 110.317 179.192 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.615 HD22 HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -59.78 -48.66 80.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.236 -0.438 . . . . 65.44 110.379 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.721 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 3.8 mm? -53.92 -47.13 71.51 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.439 -0.578 . . . . 63.34 109.439 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.499 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 6.4 tt0 -55.32 -23.7 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.533 -0.758 . . . . 75.24 110.183 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -80.44 -50.0 10.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.993 -0.549 . . . . 75.11 110.892 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.19 -32.74 67.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 62.35 111.079 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.546 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -53.44 -48.28 68.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.494 -0.321 . . . . 72.11 110.707 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.814 HG13 ' HB2' ' A' ' 76' ' ' PHE . 93.3 t -52.1 -57.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 73.42 110.639 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -52.92 -19.25 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.18 -0.463 . . . . 64.34 111.112 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.445 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 36.4 t80 -94.78 -52.36 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.637 0.256 . . . . 74.22 111.352 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -102.2 -45.95 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.499 0.555 . . . . 74.13 112.499 -178.642 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.814 ' HB2' HG13 ' A' ' 72' ' ' VAL . 48.6 m-85 -96.43 28.65 3.22 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.577 0.584 . . . . 73.34 112.577 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -66.09 36.54 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 111.892 0.33 . . . . 71.23 111.892 -179.55 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 76' ' ' PHE . . . -124.62 -16.79 2.99 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.889 -0.484 . . . . 72.21 111.889 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.25 59.46 1.73 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.091 0.472 . . . . 73.2 110.106 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.4 113.07 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.576 . . . . 72.03 111.557 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.7 t -82.05 138.64 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 116.142 -0.481 . . . . 70.23 111.025 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -106.67 172.73 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.948 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.572 HD12 ' H ' ' A' ' 83' ' ' ILE . 3.9 mp -80.74 142.89 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 64.22 111.43 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -126.29 136.36 52.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 55.3 110.915 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.6 40.11 2.61 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.728 -0.749 . . . . 74.03 112.501 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -95.93 117.9 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 70.14 110.677 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.9 p -133.65 92.04 24.33 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 74.1 111.315 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.02 112.02 3.46 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.462 2.108 . . . . 70.12 112.19 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -70.17 -32.21 70.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 73.11 111.281 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -175.73 -43.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 74.42 110.985 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.69 77.28 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 51.34 110.724 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 74.24 111.213 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.4 HG22 ' HG2' ' A' ' 14' ' ' GLU . 3.5 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.914 0.388 . . . . 75.42 110.962 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ALA . 23.4 pt -79.6 -176.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 72.21 111.15 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 32.4 t80 -122.27 99.14 6.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.895 -0.593 . . . . 72.41 109.793 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 23.5 t -58.96 148.83 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 65.22 111.205 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.585 HG22 HD13 ' A' ' 35' ' ' ILE . 15.3 t -98.42 -26.47 14.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.674 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -74.62 -42.45 58.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.166 -0.47 . . . . 73.04 110.051 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -91.44 -18.96 23.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.807 -0.633 . . . . 73.11 110.397 179.248 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 60.49 41.78 15.29 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.112 -0.495 . . . . 71.4 110.279 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.64 -173.13 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 73.2 110.133 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.6 tt0 -104.45 111.94 24.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 65.42 110.848 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . -113.56 179.61 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 54.41 111.095 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.62 -11.24 59.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 72.43 111.456 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.06 174.44 1.9 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.685 -0.769 . . . . 53.22 112.471 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' HG3' ' HG3' ' A' ' 37' ' ' LYS . 8.7 mp0 -88.6 178.74 6.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 62.42 111.146 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.45 -24.47 7.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 63.02 111.378 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -139.98 138.69 35.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 75.5 111.025 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 30.5 tt0 -61.58 132.02 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.991 -0.55 . . . . 75.54 111.017 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.6 mt -99.51 -42.55 6.88 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.082 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.647 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -88.31 164.67 32.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.623 -0.51 . . . . 71.5 109.623 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 25.9 Cg_endo -87.19 -178.86 2.61 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.5 2.133 . . . . 65.33 113.263 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.23 -141.28 1.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.195 -0.912 . . . . 62.31 114.694 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.51 -38.38 34.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.108 -0.546 . . . . 61.3 111.146 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.884 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -47.88 -54.18 13.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 70.03 110.365 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.676 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -58.5 -28.4 62.28 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.258 -0.972 . . . . 70.33 111.699 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -64.91 -58.26 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.558 0.218 . . . . 74.43 110.688 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -55.77 -40.06 72.1 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 116.584 -0.28 . . . . 74.43 111.039 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.884 HD11 HD12 ' A' ' 27' ' ' LEU . 8.9 mt -63.42 -56.8 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.566 0.698 . . . . 73.55 109.432 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -60.08 -18.24 45.51 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.776 -1.102 . . . . 75.01 110.426 178.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.4 m-80 -99.16 -57.91 2.06 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.971 0.73 . . . . 73.34 112.971 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.5 mm-40 -94.82 -19.18 20.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.96 0.726 . . . . 71.44 112.96 -177.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.585 HD13 HG22 ' A' ' 9' ' ' THR . 17.4 mm -103.15 97.57 5.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.975 0.417 . . . . 72.42 110.536 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.0 t -61.82 172.01 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 70.31 111.143 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HG3' ' HG3' ' A' ' 18' ' ' GLN . 42.7 mttt -59.45 -37.81 79.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 71.22 110.829 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -46.97 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.844 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.58 88.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.942 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.509 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 20.0 t-105 -62.68 -37.0 84.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 72.4 110.751 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 -20.72 66.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 53.14 110.921 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.06 -28.44 29.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 75.14 110.374 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 14.2 t-105 -84.87 -52.89 5.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 55.12 110.245 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -45.14 -41.87 8.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.246 -0.433 . . . . 74.45 111.079 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -63.56 -43.52 96.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 61.45 110.452 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.482 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.46 -23.12 50.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.415 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' TRP . 31.8 tt0 -68.75 -55.7 10.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.273 -0.421 . . . . 75.45 111.13 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.2 t -52.47 -39.74 61.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 74.14 111.862 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -78.82 -33.22 46.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.65 0.262 . . . . 74.2 111.053 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 22.5 mt -63.8 -32.68 74.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.976 0.417 . . . . 72.5 110.391 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.019 HD11 HD11 ' A' ' 67' ' ' LEU . 77.3 mt -74.88 -36.04 38.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.975 -0.557 . . . . 73.01 110.904 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -77.95 -35.16 50.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 75.53 111.137 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.89 -54.2 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.458 -0.337 . . . . 72.53 111.171 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' NZ ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.95 -6.63 50.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.345 . . . . 71.11 111.14 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 62.77 59.18 1.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.993 0.425 . . . . 74.11 110.581 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.826 HD21 HD22 ' A' ' 66' ' ' LEU . 55.6 mt -87.38 -174.2 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 75.54 110.583 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 3.9 t30 -160.17 103.14 1.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.921 0.391 . . . . 70.12 110.439 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.802 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -60.41 -18.87 53.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.572 . . . . 34.55 111.407 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -25.0 40.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.758 0.313 . . . . 74.53 110.691 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -94.8 137.24 34.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 73.54 110.565 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -70.71 -29.81 66.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.26 -37.78 88.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 72.21 111.197 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -85.38 -42.85 14.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 60.41 110.738 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 2.3 tpt180 -46.27 -53.27 11.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 71.4 110.721 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -61.66 -27.06 68.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.951 -0.568 . . . . 61.24 110.443 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.826 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -66.37 -45.12 81.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 65.44 110.474 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.019 HD11 HD11 ' A' ' 51' ' ' ILE . 1.7 mt -56.83 -52.27 65.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.078 0.466 . . . . 63.34 109.916 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.7 tm-20 -54.9 -23.76 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.576 -0.738 . . . . 75.24 110.396 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 66' ' ' LEU . 6.7 tm0? -75.36 -46.73 31.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.139 -0.482 . . . . 75.11 110.692 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.93 -51.23 62.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 62.35 111.209 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.52 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -44.68 -44.23 8.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.52 -0.309 . . . . 72.11 111.296 -179.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.798 HG13 ' HB2' ' A' ' 76' ' ' PHE . 58.1 t -53.72 -59.29 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.888 0.375 . . . . 73.42 110.868 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -51.16 -20.73 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 64.34 111.475 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -95.21 -49.26 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.526 -0.306 . . . . 74.22 111.567 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.43 HD12 ' HG3' ' A' ' 71' ' ' MET . 0.2 OUTLIER -103.32 -49.89 3.61 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.517 0.562 . . . . 74.13 112.517 -178.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.798 ' HB2' HG13 ' A' ' 72' ' ' VAL . 61.8 m-85 -93.94 28.53 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.62 0.6 . . . . 73.34 112.62 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.8 OUTLIER -68.02 59.28 0.07 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.914 -0.585 . . . . 71.23 110.767 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.622 0 CA-C-N 115.814 -0.63 . . . . 72.21 112.582 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.561 HG22 ' H ' ' A' ' 6' ' ' ILE . 1.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.556 0.217 . . . . 75.42 110.735 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.561 ' H ' HG22 ' A' ' 5' ' ' THR . 5.1 pt -145.49 170.36 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.457 -0.338 . . . . 72.21 110.42 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -105.49 95.82 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.416 -0.357 . . . . 72.41 110.243 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 28.8 t -61.93 150.56 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 65.22 110.678 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.602 HG22 HD13 ' A' ' 35' ' ' ILE . 12.7 t -100.63 -22.26 15.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.865 0.364 . . . . 73.23 110.589 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -74.39 -47.36 34.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.985 -0.552 . . . . 73.04 110.092 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.65 -17.18 30.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 73.11 110.362 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 61.04 41.0 14.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.146 0.498 . . . . 71.4 110.312 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -143.79 -170.26 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.475 -0.784 . . . . 73.2 109.693 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 5.9 tt0 -104.83 103.83 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.986 0.422 . . . . 65.42 110.761 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' HG13 ' A' ' 6' ' ' ILE . . . -122.44 165.1 16.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.933 -0.576 . . . . 54.41 110.995 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 -57.41 158.72 5.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.466 -0.334 . . . . 72.43 110.752 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.47 173.98 15.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.762 . . . . 53.22 112.356 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -97.77 152.53 19.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 62.42 110.892 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -99.01 -21.25 16.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 63.02 111.177 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -127.04 126.09 42.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 75.5 111.04 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -60.33 133.18 55.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.703 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mt -92.4 -42.37 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.556 . . . . 71.53 110.697 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.657 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -93.78 165.65 17.52 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.685 -0.487 . . . . 71.5 109.685 178.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.645 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 16.7 Cg_endo -92.21 -170.54 0.31 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.868 2.379 . . . . 65.33 112.872 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.46 -143.52 0.59 Allowed Glycine 0 C--N 1.33 0.201 0 CA-C-N 115.479 -0.782 . . . . 62.31 114.446 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -80.33 -37.3 32.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.126 -0.537 . . . . 61.3 111.364 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.985 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -51.5 -52.99 42.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 70.03 110.362 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.883 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -55.85 -32.32 58.99 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.279 -0.962 . . . . 70.33 111.51 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -60.51 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.627 0.251 . . . . 74.43 110.446 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.616 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 1.9 ptp180 -56.74 -39.71 74.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.305 -0.407 . . . . 74.43 111.47 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.985 HD11 HD12 ' A' ' 27' ' ' LEU . 5.5 mt -63.54 -60.8 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 121.526 0.679 . . . . 73.55 109.815 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -57.01 -18.29 13.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.03 -0.987 . . . . 75.01 110.617 179.257 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -99.89 -55.3 2.68 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.18 0.807 . . . . 73.34 113.18 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 mm-40 -94.73 -18.12 21.57 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.769 0.655 . . . . 71.44 112.769 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.602 HD13 HG22 ' A' ' 9' ' ' THR . 13.9 mm -103.48 94.14 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.89 0.376 . . . . 72.42 110.766 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.6 p -57.5 170.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.526 . . . . 70.31 111.003 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -60.86 -25.31 66.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 71.22 110.846 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -46.34 75.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 72.33 111.595 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.563 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -71.37 -43.76 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.822 0.304 . . . . 63.44 111.822 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.591 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 58.1 t-105 -54.52 -41.89 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.736 0.303 . . . . 72.4 111.095 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.41 68.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.362 . . . . 53.14 110.796 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -73.77 -38.07 64.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.404 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 15.9 t-105 -68.24 -50.39 54.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 55.12 110.171 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -46.87 -41.57 15.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.415 . . . . 74.45 110.738 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.415 ' O ' HG22 ' A' ' 48' ' ' THR . 49.0 t60 -65.5 -42.02 92.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.866 -0.606 . . . . 61.45 110.746 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 49' ' ' MET . 6.5 tptt -80.06 -19.73 46.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.697 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' TRP . 9.1 tt0 -69.28 -55.73 9.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.274 -0.421 . . . . 75.45 110.764 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 45' ' ' HIS . 11.6 t -49.5 -42.44 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 74.14 111.8 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -75.51 -35.53 60.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 74.2 110.78 -179.61 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.652 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 19.4 mt -62.84 -27.73 69.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.383 . . . . 72.5 110.296 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.069 HD11 HD11 ' A' ' 67' ' ' LEU . 50.9 mt -84.53 -44.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 73.01 110.846 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -68.28 -35.56 78.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.954 -0.566 . . . . 75.53 111.443 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.39 -49.57 9.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.415 -0.357 . . . . 72.53 111.763 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.652 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -73.93 -9.41 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.677 0.275 . . . . 71.11 110.87 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mttm 64.53 55.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.978 0.418 . . . . 74.11 110.628 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.97 ' HB2' HG23 ' A' ' 51' ' ' ILE . 44.3 mt -84.04 -171.97 3.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 75.54 110.376 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.12 96.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.414 -0.357 . . . . 70.12 110.631 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.863 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.84 -20.22 34.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 34.55 111.32 -179.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.7 mtt -81.3 10.77 5.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.56 -0.291 . . . . 74.53 111.558 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -138.9 128.16 24.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.351 . . . . 73.54 110.721 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.98 -24.94 63.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.243 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.63 -45.35 87.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 72.21 111.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -85.41 -34.87 21.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.937 0.398 . . . . 60.41 110.556 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -48.26 -48.31 35.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.011 -0.54 . . . . 71.4 110.373 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -66.22 -30.86 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.798 -0.637 . . . . 61.24 110.137 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -49.03 69.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 65.44 110.76 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.069 HD11 HD11 ' A' ' 51' ' ' ILE . 4.4 mt -58.4 -46.09 87.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 63.34 110.401 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.506 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -53.19 -21.79 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.79 -0.641 . . . . 75.24 110.495 179.353 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 -52.26 6.86 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.112 -0.494 . . . . 75.11 111.418 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' OE1' HD22 ' A' ' 50' ' ' LEU . 5.6 mt-10 -61.52 -42.05 98.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.462 -0.335 . . . . 62.35 111.175 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -48.53 -45.57 37.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 72.11 111.17 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.82 HG13 ' HB2' ' A' ' 76' ' ' PHE . 93.3 t -51.29 -57.01 3.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.924 0.392 . . . . 73.42 110.262 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 20.9 t-20 -51.39 -20.68 1.87 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.89 -0.596 . . . . 64.34 111.114 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -95.46 -51.43 4.56 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.407 -0.36 . . . . 74.22 111.937 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.03 -44.72 5.14 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.62 0.6 . . . . 74.13 112.62 -178.353 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.82 ' HB2' HG13 ' A' ' 72' ' ' VAL . 56.2 m-85 -97.43 28.72 3.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.008 0.432 . . . . 73.34 112.127 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' VAL . 73.4 tt0 -67.31 59.29 0.05 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.518 -0.765 . . . . 71.23 111.083 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.515 0 C-N-CA 120.913 -0.661 . . . . 72.21 112.379 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.707 0.289 . . . . 75.42 110.391 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.42 ' CG1' ' O ' ' A' ' 15' ' ' ALA . 30.3 pt -80.47 -176.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.047 0.451 . . . . 72.21 111.594 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 21.5 t80 -117.15 100.36 7.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 72.41 109.802 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 35.4 t -60.82 146.56 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.429 -0.351 . . . . 65.22 110.442 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.618 HG22 HD13 ' A' ' 35' ' ' ILE . 12.1 t -98.84 -23.73 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.662 0.268 . . . . 73.23 110.863 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 55.2 t80 -74.56 -43.91 53.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.997 0.427 . . . . 73.04 110.014 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.0 -16.05 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 73.11 110.624 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 60.75 40.74 15.77 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.033 0.445 . . . . 71.4 110.241 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -142.31 -167.28 2.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 73.2 110.345 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 6.5 tt0 -106.44 123.83 48.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 65.42 110.49 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' O ' ' CG1' ' A' ' 6' ' ' ILE . . . -150.3 164.33 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.373 . . . . 54.41 111.339 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.41 168.39 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 72.43 111.056 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -124.63 152.0 17.4 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.725 -0.75 . . . . 53.22 112.443 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -57.9 179.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.805 0.336 . . . . 62.42 111.012 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -116.84 -28.79 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 63.02 111.325 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -136.94 136.45 38.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 75.5 111.187 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 43.0 tt0 -59.33 124.81 21.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.938 -0.573 . . . . 75.54 110.77 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 mt -89.81 -46.47 8.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 71.53 111.162 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.63 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -83.59 169.33 17.66 Favored Pre-proline 0 C--N 1.331 -0.213 0 N-CA-C 109.493 -0.558 . . . . 71.5 109.493 178.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.572 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 13.3 Cg_endo -92.37 179.04 1.36 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.743 2.295 . . . . 65.33 113.119 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.02 -142.71 1.69 Allowed Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.45 -0.796 . . . . 62.31 114.894 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 1.4 tp10 -79.14 -39.68 32.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.915 -0.642 . . . . 61.3 111.564 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.737 ' HG ' ' HG3' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -49.96 -49.72 49.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.974 0.416 . . . . 70.03 110.623 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.707 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -58.9 -33.35 73.27 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.175 -1.012 . . . . 70.33 112.116 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -58.56 -52.54 65.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.691 0.281 . . . . 74.43 111.077 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.723 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.3 ptp180 -59.15 -36.29 74.99 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.598 -0.274 . . . . 74.43 111.149 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.728 HD11 HD12 ' A' ' 27' ' ' LEU . 6.9 mt -66.52 -52.15 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-O 121.575 0.703 . . . . 73.55 109.418 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -18.38 64.22 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.862 -1.063 . . . . 75.01 110.034 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -100.64 -52.67 3.27 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.809 1.04 . . . . 73.34 113.809 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.5 mt-10 -98.69 -15.25 19.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.435 0.902 . . . . 71.44 113.435 -177.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.618 HD13 HG22 ' A' ' 9' ' ' THR . 25.0 mm -105.41 105.1 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.016 0.436 . . . . 72.42 111.483 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.6 p -62.91 167.42 4.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.939 -0.573 . . . . 70.31 110.83 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -60.17 -29.21 68.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.045 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.62 -44.13 67.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.463 -0.335 . . . . 72.33 111.287 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -66.91 -34.58 78.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.447 -0.342 . . . . 63.44 110.973 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.499 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.8 t-105 -64.38 -32.69 74.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.539 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.42 64.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 53.14 110.951 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.39 -35.54 25.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.106 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.663 ' CB ' HD11 ' A' ' 75' ' ' LEU . 16.9 t-105 -74.6 -52.43 11.81 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.074 -0.512 . . . . 55.12 110.1 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -43.77 -40.34 4.28 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.178 -0.464 . . . . 74.45 110.631 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.566 ' O ' HG22 ' A' ' 48' ' ' THR . 66.8 t60 -64.41 -47.9 77.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.708 -0.678 . . . . 61.45 110.289 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 4.0 tptt -72.38 -25.77 61.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.989 -0.55 . . . . 74.13 110.7 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -66.45 -56.58 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.96 0.41 . . . . 75.45 110.775 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 45' ' ' HIS . 12.9 t -50.24 -39.95 46.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 74.14 111.855 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 4.3 ptm -78.22 -42.67 30.64 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.97 -0.292 . . . . 74.2 110.817 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 23.9 mt -54.84 -26.17 33.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 72.5 110.587 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 67' ' ' LEU . 62.0 mt -84.53 -42.26 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 73.01 110.854 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -73.48 -36.01 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.928 -0.578 . . . . 75.53 111.383 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -52.77 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 72.53 111.385 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -77.6 -5.89 51.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.74 0.305 . . . . 71.11 111.019 179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.9 mttt 62.09 62.58 1.19 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.879 0.371 . . . . 74.11 110.716 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.804 ' HB2' HG23 ' A' ' 51' ' ' ILE . 37.6 mt -90.11 -174.28 4.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.984 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -158.36 100.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 70.12 110.635 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.868 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.23 -15.85 49.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.827 -0.624 . . . . 34.55 111.831 -179.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -7.29 58.69 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.077 -0.249 . . . . 74.53 111.113 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.89 130.1 53.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.345 . . . . 73.54 110.718 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -58.69 -30.04 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.372 . . . . 75.0 110.943 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -58.46 -45.12 89.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.028 -0.533 . . . . 72.21 111.528 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -85.11 -36.99 20.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 60.41 110.466 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -50.57 -49.2 56.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 71.4 110.724 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -66.63 -24.85 66.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 61.24 110.848 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.432 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -65.24 -50.06 67.29 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.025 -0.361 . . . . 65.44 110.025 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.051 HD11 HD11 ' A' ' 51' ' ' ILE . 4.3 mt -52.87 -43.75 66.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.275 0.56 . . . . 63.34 109.596 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.737 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 3.0 tt0 -53.47 -24.67 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.282 -0.872 . . . . 75.24 110.344 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.88 -45.08 29.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 75.11 110.71 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -67.88 -49.14 63.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 62.35 111.697 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.449 ' HA ' ' CE3' ' A' ' 43' ' ' TRP . 3.3 ptm -43.93 -37.49 2.91 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.546 -0.297 . . . . 72.11 111.538 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.759 HG13 ' HB2' ' A' ' 76' ' ' PHE . 72.5 t -63.59 -61.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 73.42 110.735 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 4.8 t-20 -50.38 -19.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 64.34 111.462 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.468 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 25.0 t80 -95.2 -50.02 5.23 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.734 0.272 . . . . 74.22 111.734 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.663 HD11 ' CB ' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -102.74 -46.77 4.61 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.506 0.558 . . . . 74.13 112.506 -178.666 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.759 ' HB2' HG13 ' A' ' 72' ' ' VAL . 81.9 m-85 -95.64 28.38 3.04 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 112.287 0.477 . . . . 73.34 112.287 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 23.2 tt0 -65.53 57.56 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.867 -0.606 . . . . 71.23 111.065 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.782 -0.723 . . . . 72.21 112.627 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.748 HG22 ' HG2' ' A' ' 14' ' ' GLU . 1.7 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.865 0.364 . . . . 75.42 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 22.1 pt -91.39 -179.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 72.21 111.135 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 1.2 t80 -116.12 97.69 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.435 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 36.8 t -63.08 105.57 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 65.22 111.381 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.431 HG22 ' CD1' ' A' ' 35' ' ' ILE . 7.5 t -60.24 -17.59 42.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 73.23 111.432 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -74.52 -53.17 9.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.921 0.391 . . . . 73.04 110.164 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -88.19 -8.99 54.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 73.11 110.696 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 58.84 41.17 21.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.324 -0.398 . . . . 71.4 110.361 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -143.88 174.89 10.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 73.2 110.273 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.748 ' HG2' HG22 ' A' ' 5' ' ' THR . 3.8 tt0 -95.38 117.08 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.946 0.403 . . . . 65.42 111.383 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.38 175.5 5.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.049 -0.523 . . . . 54.41 111.008 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -18.03 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.446 -0.343 . . . . 72.43 111.822 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.32 -167.9 22.21 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.636 -0.792 . . . . 53.22 112.633 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -113.88 179.67 3.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.793 0.33 . . . . 62.42 110.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.07 -22.3 7.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.231 -0.441 . . . . 63.02 111.54 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -128.9 142.98 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 75.5 111.104 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 25.8 tt0 -71.07 122.61 20.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 75.54 110.431 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 22' ' ' LEU . 6.8 mp -86.22 -36.3 19.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 71.53 111.645 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.637 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -97.79 169.25 8.77 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.475 -0.33 . . . . 71.5 110.165 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.577 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 15.4 Cg_endo -93.39 -170.1 0.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.019 2.479 . . . . 65.33 112.986 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.02 -143.96 0.22 Allowed Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.352 -0.84 . . . . 62.31 114.522 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 2.2 mt-10 -81.35 -34.76 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.237 -0.481 . . . . 61.3 111.148 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.718 HD23 ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -55.25 -47.63 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.783 0.325 . . . . 70.03 110.296 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.637 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -60.81 -31.29 75.25 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.141 -1.028 . . . . 70.33 111.678 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 16.9 mttm -64.73 -53.77 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.297 . . . . 74.43 110.334 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.718 ' HD3' HD23 ' A' ' 27' ' ' LEU . 6.3 ptm180 -58.84 -39.8 82.35 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.29 -0.414 . . . . 74.43 111.315 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.678 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 6.9 mt -65.29 -59.59 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.26 0.552 . . . . 73.55 110.075 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -18.56 56.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.528 -0.76 . . . . 75.01 110.714 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -100.57 -45.41 5.53 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.94 0.718 . . . . 73.34 112.94 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 29.6 mt-10 -100.97 -18.24 16.4 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.695 0.628 . . . . 71.44 112.695 -178.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.702 HG23 ' HB3' ' A' ' 39' ' ' ALA . 9.5 mm -109.14 126.66 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.947 0.403 . . . . 72.42 110.814 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.64 174.18 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 70.31 110.76 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -59.08 -34.99 72.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 71.22 110.859 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.588 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.0 tp10 -58.63 -42.49 88.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.037 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.702 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -79.3 -45.53 19.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 63.44 111.179 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.678 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 66.8 t-105 -55.52 -38.53 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 72.4 110.691 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.72 81.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 53.14 110.299 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -68.6 -29.74 68.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.798 -0.637 . . . . 75.14 110.278 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.54 ' HB2' HD21 ' A' ' 75' ' ' LEU . 23.0 t-105 -72.69 -50.35 25.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.072 -0.513 . . . . 55.12 110.627 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 9.1 mm100 -44.1 -51.75 7.74 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.996 0.427 . . . . 74.45 110.755 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -60.87 -51.96 67.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.878 -0.601 . . . . 61.45 110.54 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 20.4 tptt -66.2 -19.88 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.13 111.08 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.511 ' HG3' HD13 ' A' ' 67' ' ' LEU . 31.9 tt0 -77.89 -56.97 4.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.865 0.364 . . . . 75.45 110.917 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -53.82 -35.33 61.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 74.14 111.601 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.6 -37.29 50.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.328 . . . . 74.2 111.303 -179.579 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 19.0 mt -58.0 -33.36 68.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.401 . . . . 72.5 110.742 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.861 HG23 ' HB2' ' A' ' 56' ' ' LEU . 62.4 mt -73.8 -44.07 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.947 -0.57 . . . . 73.01 111.269 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -72.48 -28.53 62.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.209 -0.45 . . . . 75.53 111.028 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.24 -53.8 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 72.53 111.337 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 4.4 mptt -76.16 -2.2 29.92 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.48 -0.327 . . . . 71.11 111.409 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp 63.46 53.5 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 74.11 111.39 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.861 ' HB2' HG23 ' A' ' 51' ' ' ILE . 63.2 mt -88.69 174.88 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.415 -0.357 . . . . 75.54 110.218 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -150.39 105.1 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.963 0.411 . . . . 70.12 110.652 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.714 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -55.95 -22.58 27.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 34.55 111.315 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.0 0.48 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.518 -0.31 . . . . 74.53 111.147 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -119.18 137.07 53.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.304 . . . . 73.54 110.723 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.98 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.415 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -35.15 76.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 72.21 111.261 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -85.41 -39.58 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 60.41 111.066 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -49.75 -52.06 34.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.761 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -64.2 -29.03 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 61.24 110.811 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.767 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -60.79 -46.4 90.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.354 . . . . 65.44 110.8 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.844 HD11 HD11 ' A' ' 51' ' ' ILE . 1.4 mt -59.81 -44.15 94.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.965 0.412 . . . . 63.34 110.248 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 9.7 mt-10 -56.85 -23.47 44.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.95 -0.568 . . . . 75.24 109.841 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -47.53 16.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.586 -0.734 . . . . 75.11 110.584 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.448 ' OE1' HD22 ' A' ' 50' ' ' LEU . 3.2 mm-40 -60.16 -43.08 96.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.959 -0.564 . . . . 62.35 111.204 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 6.0 ptm -47.85 -35.51 10.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.39 -0.368 . . . . 72.11 111.381 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.825 HG13 ' HB2' ' A' ' 76' ' ' PHE . 98.9 t -63.14 -58.27 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 121.138 0.494 . . . . 73.42 109.845 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 53.2 t30 -49.7 -21.39 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 64.34 111.293 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -95.62 -49.1 5.53 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.422 -0.354 . . . . 74.22 111.875 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.23 -39.7 6.73 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.977 0.732 . . . . 74.13 112.977 -178.38 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.825 ' HB2' HG13 ' A' ' 72' ' ' VAL . 97.0 m-85 -105.9 28.5 7.52 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.089 0.403 . . . . 73.34 112.089 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.2 tt0 -65.84 58.35 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.905 -0.589 . . . . 71.23 111.293 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.449 -0.467 0 C-N-CA 120.68 -0.771 . . . . 72.21 113.051 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.774 0.321 . . . . 75.42 110.72 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 pt -80.86 -179.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 72.21 111.04 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.494 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 3.6 t80 -116.21 100.3 7.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.27 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 18.2 t -62.28 146.15 51.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 65.22 110.738 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.56 HG22 HD13 ' A' ' 35' ' ' ILE . 14.5 t -96.36 -22.22 17.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.455 -0.338 . . . . 73.23 110.633 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 37.0 t80 -74.56 -45.57 44.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 73.04 110.187 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.4 -13.47 32.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 73.11 110.619 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 58.63 42.48 20.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.043 0.449 . . . . 71.4 110.193 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -143.7 -173.28 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.868 -0.606 . . . . 73.2 110.383 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 1.9 tt0 -103.15 115.76 31.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.4 -0.364 . . . . 65.42 110.712 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.05 171.61 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 54.41 111.34 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.63 -177.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.632 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.03 -176.65 14.5 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.759 . . . . 53.22 112.496 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.28 155.88 17.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 62.42 111.063 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.93 -26.85 28.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 63.02 111.546 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -150.26 143.95 25.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.39 . . . . 75.5 111.346 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 38.6 tt0 -60.43 120.69 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 75.54 110.672 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.0 -43.83 14.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 71.53 111.147 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.66 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -88.49 165.16 29.51 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.44 -0.345 . . . . 71.5 110.09 179.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.66 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.8 Cg_endo -92.03 -172.88 0.44 Allowed 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.847 2.364 . . . . 65.33 113.11 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.29 -142.97 0.61 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.163 -0.926 . . . . 62.31 114.452 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 1.4 tt0 -81.16 -34.38 32.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.21 -0.495 . . . . 61.3 111.71 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.997 HD12 HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -54.1 -50.72 66.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.994 0.426 . . . . 70.03 110.068 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.69 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -57.41 -34.46 68.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.528 -0.844 . . . . 70.33 111.911 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 6.0 mtpm? -62.08 -56.48 18.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.726 0.298 . . . . 74.43 110.698 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 11.7 ptp180 -57.53 -40.01 77.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.414 . . . . 74.43 111.265 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.997 HD11 HD12 ' A' ' 27' ' ' LEU . 7.7 mt -64.31 -61.13 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.438 0.637 . . . . 73.55 109.957 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -18.25 10.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.211 -0.904 . . . . 75.01 110.783 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -99.59 -53.91 3.07 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.056 0.761 . . . . 73.34 113.056 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.9 mm-40 -94.33 -19.51 20.59 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.449 0.537 . . . . 71.44 112.449 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.56 HD13 HG22 ' A' ' 9' ' ' THR . 16.7 mm -103.23 97.19 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.845 0.355 . . . . 72.42 110.594 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.7 p -57.93 174.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.99 -0.55 . . . . 70.31 111.006 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -62.85 -35.38 79.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 71.22 110.882 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -41.42 89.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 72.33 111.261 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.96 -37.25 78.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.367 . . . . 63.44 111.013 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.633 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 24.5 t-105 -65.02 -41.34 95.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.038 -0.528 . . . . 72.4 110.749 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.88 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 53.14 111.044 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -83.4 -27.11 29.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.591 . . . . 75.14 110.607 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.666 ' CB ' HD11 ' A' ' 75' ' ' LEU . 17.7 t-105 -84.16 -46.92 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 55.12 110.578 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 10.6 mm-40 -47.64 -42.02 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.99 0.424 . . . . 74.45 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -66.58 -50.11 64.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.984 -0.553 . . . . 61.45 110.325 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 5.3 tptt -69.97 -19.57 63.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.269 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.778 ' CG ' HD21 ' A' ' 67' ' ' LEU . 2.7 tt0 -78.07 -59.93 2.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.416 . . . . 75.45 111.209 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 t -47.93 -30.11 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 74.14 112.064 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.5 -35.77 53.27 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 121.07 -0.252 . . . . 74.2 111.234 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 81.4 mt -65.97 -42.3 90.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 72.5 110.212 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.862 HG23 ' HB2' ' A' ' 56' ' ' LEU . 37.6 mt -62.39 -42.53 95.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.234 -0.439 . . . . 73.01 110.638 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -74.89 -36.83 62.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 75.53 111.005 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.54 -54.3 6.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 72.53 111.208 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.63 -9.93 59.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 71.11 110.808 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt 63.18 64.46 0.84 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.275 -0.42 . . . . 74.11 111.289 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.054 HD21 HD22 ' A' ' 66' ' ' LEU . 67.0 mt -88.77 -170.26 2.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.39 . . . . 75.54 110.154 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.09 97.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 70.12 110.967 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.655 ' CE ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.48 -19.93 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 34.55 111.451 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -86.03 13.68 7.3 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.574 0.226 . . . . 74.53 111.41 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.32 125.65 17.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.711 0.291 . . . . 73.54 110.585 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.31 -35.55 72.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 75.0 111.305 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -44.78 65.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.231 -0.44 . . . . 72.21 111.163 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -85.08 -39.26 18.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.21 -0.45 . . . . 60.41 110.817 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -48.8 -46.17 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.924 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -65.05 -30.81 71.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 61.24 110.616 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.054 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -54.49 -43.1 71.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.298 -0.41 . . . . 65.44 110.494 179.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.778 HD21 ' CG ' ' A' ' 47' ' ' GLN . 1.7 tp -59.5 -43.91 93.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 63.34 109.912 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 3.7 tm-20 -59.55 -20.73 57.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.887 -0.597 . . . . 75.24 110.324 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -80.56 -54.99 5.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.995 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.52 -45.96 84.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 62.35 111.396 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.535 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -45.05 -48.37 11.79 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.899 0.333 . . . . 72.11 111.899 -179.228 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.746 HG13 ' HB2' ' A' ' 76' ' ' PHE . 99.2 t -50.99 -57.98 2.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.955 0.407 . . . . 73.42 110.411 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -21.88 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.854 -0.612 . . . . 64.34 110.963 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.416 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 7.5 t80 -95.0 -52.72 4.1 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.242 0.46 . . . . 74.22 112.242 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 ' CB ' ' A' ' 43' ' ' TRP . 1.5 mt -101.17 -48.61 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.708 0.633 . . . . 74.13 112.708 -178.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.746 ' HB2' HG13 ' A' ' 72' ' ' VAL . 63.3 m-85 -92.04 27.04 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.252 0.464 . . . . 73.34 112.252 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.5 tt0 -68.18 58.59 0.08 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 120.985 0.422 . . . . 71.23 110.435 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.603 0 C-N-CA 120.822 -0.704 . . . . 72.21 112.779 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 75.42 110.58 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.6 pt -80.48 -175.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 72.21 111.025 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 31.0 t80 -118.72 97.03 5.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.654 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 17.3 t -59.07 144.16 46.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 65.22 110.27 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.592 HG22 HD13 ' A' ' 35' ' ' ILE . 14.5 t -97.58 -21.44 17.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.061 0.457 . . . . 73.23 110.641 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -74.24 -45.42 48.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.974 -0.557 . . . . 73.04 109.805 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.22 -16.61 32.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.841 -0.618 . . . . 73.11 110.63 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 61.77 40.56 12.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 71.4 110.164 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.31 -172.03 3.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 73.2 110.434 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 12.1 tt0 -103.64 116.13 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 65.42 110.627 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.38 167.27 22.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 54.41 111.247 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -66.46 165.37 14.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.741 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.25 -168.84 12.82 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.706 -0.759 . . . . 53.22 112.447 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.79 176.96 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 62.42 110.921 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.7 -26.88 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 63.02 111.328 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -123.52 130.91 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 75.5 111.145 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 49.9 tt0 -61.22 118.67 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.54 110.448 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.1 mt -80.82 -44.09 19.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 71.53 111.771 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.618 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.29 169.5 12.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 71.5 110.487 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 17.5 Cg_endo -92.3 -172.78 0.42 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.043 2.495 . . . . 65.33 113.053 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.17 -142.78 0.2 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.257 -0.883 . . . . 62.31 114.51 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -81.35 -36.47 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.352 -0.424 . . . . 61.3 111.265 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.795 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -49.71 -52.52 30.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.404 . . . . 70.03 110.401 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.729 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -59.0 -34.25 78.07 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.505 -0.855 . . . . 70.33 112.073 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -54.87 35.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.605 0.24 . . . . 74.43 110.792 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.72 -39.33 80.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.561 -0.29 . . . . 74.43 111.254 -179.816 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.795 HD11 HD12 ' A' ' 27' ' ' LEU . 11.0 mt -63.87 -61.52 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 CA-C-O 121.457 0.646 . . . . 73.55 109.923 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -55.7 -18.19 7.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.965 -1.016 . . . . 75.01 110.172 179.049 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -98.31 -53.43 3.35 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.28 0.844 . . . . 73.34 113.28 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 1.2 mt-10 -94.47 -17.82 22.08 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.057 0.762 . . . . 71.44 113.057 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.592 HD13 HG22 ' A' ' 9' ' ' THR . 19.3 mm -104.4 125.55 59.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.379 . . . . 72.42 110.749 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 p -82.22 179.41 7.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 70.31 111.055 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -68.15 -30.97 70.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.887 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.21 -41.02 77.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 72.33 110.974 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.54 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -74.06 -38.29 63.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 63.44 111.192 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.743 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 61.0 t-105 -63.29 -39.0 93.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 72.4 110.873 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.58 -25.02 67.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 53.14 110.898 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -78.88 -37.31 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.068 -0.515 . . . . 75.14 110.576 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.543 ' CZ2' HD22 ' A' ' 67' ' ' LEU . 24.6 t-105 -69.66 -49.08 57.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 55.12 110.366 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -44.52 -40.69 5.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.083 0.468 . . . . 74.45 110.656 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -69.38 -49.41 55.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 61.45 110.33 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 2.1 tptm -70.64 -19.48 62.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 74.13 110.774 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' TRP . 2.5 tt0 -75.23 -56.81 4.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.435 . . . . 75.45 111.122 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -56.14 -32.55 64.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 74.14 111.941 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -76.68 -33.11 58.27 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.026 -0.269 . . . . 74.2 110.738 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 36.7 mt -60.84 -54.17 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.939 -0.393 . . . . 72.5 109.939 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.097 HD11 HD11 ' A' ' 67' ' ' LEU . 2.8 mt -56.31 -33.05 36.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 73.01 110.654 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -65.96 -54.66 23.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.052 -0.522 . . . . 75.53 111.092 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.12 -54.35 6.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 72.53 111.513 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -64.42 -14.75 58.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.562 -0.29 . . . . 71.11 111.14 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 63.98 62.13 0.9 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.039 0.447 . . . . 74.11 110.516 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 51' ' ' ILE . 67.7 mt -95.42 -173.47 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.876 -0.602 . . . . 75.54 110.528 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -160.34 101.28 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 70.12 110.954 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.58 ' HE1' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -63.12 -12.44 27.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 34.55 111.377 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -30.04 40.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 74.53 110.519 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -96.05 146.45 24.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 73.54 110.758 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.77 -34.88 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 75.0 111.416 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -54.09 -42.25 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 72.21 111.181 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -85.68 -38.65 18.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 60.41 111.016 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -48.45 -49.35 35.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 71.4 110.926 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -25.03 64.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 61.24 110.703 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -42.34 88.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.796 0.331 . . . . 65.44 110.275 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.097 HD11 HD11 ' A' ' 51' ' ' ILE . 5.6 mt -58.52 -35.27 72.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 63.34 110.058 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' HA ' ' SD ' ' A' ' 71' ' ' MET . 58.7 mt-10 -58.74 -20.37 48.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 75.24 110.246 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -81.01 -51.04 8.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.88 -0.6 . . . . 75.11 111.607 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.05 -48.1 72.17 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.102 0.408 . . . . 62.35 112.102 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.491 ' SD ' ' HA ' ' A' ' 68' ' ' GLU . 4.3 ptm -46.05 -30.7 1.96 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.588 0.233 . . . . 72.11 111.507 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.873 HG13 ' HB2' ' A' ' 76' ' ' PHE . 99.0 t -65.55 -58.74 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 73.42 110.238 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -50.33 -20.28 1.04 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 64.34 111.289 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -95.4 -50.49 4.98 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.37 -0.377 . . . . 74.22 111.879 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -103.08 -45.46 4.93 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.219 0.452 . . . . 74.13 112.219 -178.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.873 ' HB2' HG13 ' A' ' 72' ' ' VAL . 37.4 m-85 -96.69 28.32 3.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.94 0.348 . . . . 73.34 111.94 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -68.1 60.76 0.08 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.86 -0.609 . . . . 71.23 110.842 -179.444 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.563 0 CA-C-N 115.537 -0.756 . . . . 72.21 111.985 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.739 HG22 ' HG2' ' A' ' 14' ' ' GLU . 6.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.826 0.346 . . . . 75.42 110.727 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 22.7 pt -83.56 -177.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 72.21 111.341 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 13.1 t80 -121.11 96.44 5.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 72.41 110.483 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 32.9 t -59.0 148.65 29.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.94 -0.573 . . . . 65.22 110.818 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.556 HG22 HD13 ' A' ' 35' ' ' ILE . 14.9 t -100.03 -21.65 15.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 73.23 110.915 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 48.7 t80 -74.27 -46.54 40.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.224 -0.444 . . . . 73.04 109.911 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 38' ' ' GLU . 2.0 mt -92.8 -13.48 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 73.11 110.686 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 58.62 41.92 21.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.012 0.434 . . . . 71.4 110.552 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -140.89 -179.8 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.975 -0.557 . . . . 73.2 110.129 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.739 ' HG2' HG22 ' A' ' 5' ' ' THR . 5.6 tt0 -99.57 110.48 22.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.74 0.305 . . . . 65.42 110.844 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.627 ' HB3' ' OG ' ' A' ' 36' ' ' SER . . . -109.94 177.63 4.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 54.41 111.297 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -33.66 72.38 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.23 0.538 . . . . 72.43 110.569 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.63 161.08 36.31 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.298 -0.864 . . . . 53.22 112.676 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -73.47 174.73 7.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.789 0.328 . . . . 62.42 110.814 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.04 -28.35 8.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 63.02 111.176 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' ' 22' ' ' LEU . 21.7 p90 -146.82 148.45 31.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.363 -0.38 . . . . 75.5 111.189 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.91 119.57 9.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 75.54 110.827 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD12 ' NE1' ' A' ' 40' ' ' TRP . 27.7 mt -87.32 -40.58 14.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 71.53 111.056 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.635 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -88.31 165.06 30.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.876 -0.416 . . . . 71.5 109.876 179.224 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.497 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 19.3 Cg_endo -90.46 -170.51 0.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.702 2.268 . . . . 65.33 112.562 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 39.31 -144.08 0.34 Allowed Glycine 0 N--CA 1.454 -0.162 0 CA-C-N 115.558 -0.746 . . . . 62.31 114.473 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -33.94 32.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.337 -0.432 . . . . 61.3 111.363 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.763 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -53.63 -49.68 67.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.353 -0.385 . . . . 70.03 110.738 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.712 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -60.32 -31.78 74.9 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.294 -0.955 . . . . 70.33 111.694 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -51.34 67.71 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.12 -0.232 . . . . 74.43 110.748 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -65.04 -41.49 95.15 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.58 -0.282 . . . . 74.43 111.624 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.763 HD11 HD12 ' A' ' 27' ' ' LEU . 9.1 mt -59.62 -62.98 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.498 0.666 . . . . 73.55 109.791 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.36 -18.39 2.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.106 -0.952 . . . . 75.01 110.3 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -94.56 -55.11 3.26 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.852 0.686 . . . . 73.34 112.852 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.1 mm-40 -96.8 -17.87 19.95 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.179 0.807 . . . . 71.44 113.179 -177.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.556 HD13 HG22 ' A' ' 9' ' ' THR . 14.8 mm -103.89 96.3 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.935 0.398 . . . . 72.42 111.022 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.627 ' OG ' ' HB3' ' A' ' 15' ' ' ALA . 69.1 m -59.55 169.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 70.31 111.0 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -60.47 -34.76 74.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.064 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -61.64 -48.49 80.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.051 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.71 -36.51 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.97 0.414 . . . . 63.44 110.682 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.616 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 50.3 t-105 -61.96 -39.77 93.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 72.4 110.603 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.69 67.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 53.14 110.982 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -82.36 -30.72 30.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.14 109.967 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 13.1 t-105 -73.35 -49.01 29.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.998 -0.546 . . . . 55.12 109.845 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -49.49 -36.29 22.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.944 -0.571 . . . . 74.45 110.559 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -68.01 -40.1 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.775 -0.648 . . . . 61.45 110.5 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 49' ' ' MET . 11.4 tptt -83.21 -19.83 35.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 74.13 110.708 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' TRP . 1.7 tt0 -75.3 -51.93 12.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 75.45 110.831 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 t -56.49 -33.32 65.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.996 -0.547 . . . . 74.14 111.942 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.451 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -81.19 -37.9 27.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.684 0.278 . . . . 74.2 111.325 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.514 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 26.6 mt -60.1 -35.07 74.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.941 0.401 . . . . 72.5 110.503 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.93 HG21 ' HE1' ' A' ' 58' ' ' MET . 67.2 mt -74.25 -47.77 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 73.01 110.95 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -69.4 -29.27 66.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.093 -0.503 . . . . 75.53 111.232 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -84.14 -54.02 5.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.485 -0.325 . . . . 72.53 111.082 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.63 -6.6 54.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.51 -0.314 . . . . 71.11 110.771 179.657 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.12 59.18 1.69 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.353 -0.385 . . . . 74.11 111.091 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.871 ' HB2' HG23 ' A' ' 51' ' ' ILE . 28.1 mt -82.53 -171.99 3.79 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.347 -0.388 . . . . 75.54 110.415 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -156.53 98.74 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.798 0.332 . . . . 70.12 110.793 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.93 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.8 -14.89 50.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 34.55 111.861 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -24.43 42.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 74.53 110.522 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -105.62 128.38 53.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.52 . . . . 73.54 110.641 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.36 -27.95 67.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 75.0 111.284 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -55.35 -44.65 76.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 72.21 110.74 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -85.4 -34.92 21.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 60.41 110.514 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -52.54 -49.21 65.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 71.4 110.253 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -30.62 71.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.857 -0.61 . . . . 61.24 110.508 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -62.05 -44.76 95.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.403 179.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.896 HD11 HD11 ' A' ' 51' ' ' ILE . 2.2 mt -57.51 -41.31 80.54 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.99 0.424 . . . . 63.34 110.123 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.459 ' CG ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -54.98 -22.16 14.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 75.24 110.357 179.233 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 66' ' ' LEU . 42.1 tp60 -79.92 -49.58 11.69 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.069 -0.514 . . . . 75.11 111.089 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.1 -41.36 98.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.52 . . . . 62.35 111.619 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.42 ' SD ' ' CE2' ' A' ' 23' ' ' TYR . 5.7 ptm -55.29 -32.19 62.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.562 0.22 . . . . 72.11 111.065 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.824 HG13 ' HB2' ' A' ' 76' ' ' PHE . 58.4 t -66.19 -62.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.977 0.418 . . . . 73.42 110.494 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.461 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.3 t30 -50.98 -18.98 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 64.34 111.162 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.43 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 14.9 t80 -95.27 -51.52 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.536 -0.302 . . . . 74.22 111.399 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -103.34 -45.6 4.83 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.859 0.688 . . . . 74.13 112.859 -178.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.824 ' HB2' HG13 ' A' ' 72' ' ' VAL . 34.8 m-85 -95.89 28.3 3.17 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.051 0.389 . . . . 73.34 112.051 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -68.78 57.92 0.09 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.101 -0.5 . . . . 71.23 111.226 -179.369 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.538 0 C-N-CA 120.583 -0.818 . . . . 72.21 112.769 179.771 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.465 HG22 ' HG2' ' A' ' 14' ' ' GLU . 2.0 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.789 0.328 . . . . 75.42 110.612 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 pt -85.65 -176.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 72.21 111.462 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 7.3 t80 -123.48 99.99 6.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.685 -0.689 . . . . 72.41 109.657 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.0 t -60.56 147.89 39.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.373 -0.376 . . . . 65.22 110.979 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.504 HG22 HD13 ' A' ' 35' ' ' ILE . 14.7 t -97.0 -26.22 15.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.674 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -74.43 -40.67 61.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.144 0.497 . . . . 73.04 109.778 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 38' ' ' GLU . 7.1 mt -93.16 -18.9 22.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.587 -0.733 . . . . 73.11 110.516 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 59.2 41.93 19.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.349 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.48 -175.74 4.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.81 -0.632 . . . . 73.2 110.119 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 5' ' ' THR . 8.3 tt0 -105.04 115.26 29.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 65.42 110.909 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.64 -177.6 3.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.474 . . . . 54.41 111.169 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.99 -15.91 57.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 72.43 111.471 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.66 172.5 1.21 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.795 -0.716 . . . . 53.22 112.764 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -76.51 -178.59 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 62.42 110.859 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.31 -25.41 5.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 63.02 111.58 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 2.3 p90 -143.6 146.44 33.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.354 . . . . 75.5 111.085 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -72.13 125.25 26.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 75.54 111.118 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 20' ' ' PHE . 1.3 mt -102.38 -36.87 8.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 71.53 111.032 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.757 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -85.99 169.32 15.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 71.5 110.764 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.757 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 4.2 Cg_endo -44.61 -173.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.764 2.976 . . . . 65.33 113.779 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.62 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.518 0.262 0 N-CA-C 115.609 1.004 . . . . 62.31 115.609 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.81 -55.59 33.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.004 0.742 . . . . 61.3 113.004 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.781 HD13 ' CE ' ' A' ' 71' ' ' MET . 4.5 mt -61.03 -55.7 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.582 -0.447 . . . . 70.03 111.346 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.717 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -53.92 -23.32 22.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.988 -1.101 . . . . 70.33 112.632 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -52.79 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.615 0.245 . . . . 74.43 110.586 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.72 ' HE ' HD23 ' A' ' 27' ' ' LEU . 5.1 ptp180 -61.04 -36.89 80.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.492 -0.322 . . . . 74.43 110.971 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.717 HD12 ' HA2' ' A' ' 28' ' ' GLY . 4.4 mt -68.39 -47.61 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-O 121.486 0.66 . . . . 73.55 109.764 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.512 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -69.11 -18.65 64.0 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.217 -0.901 . . . . 75.01 110.38 179.181 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -100.79 -48.08 4.6 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.125 0.787 . . . . 73.34 113.125 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 39.3 mm-40 -97.76 -20.04 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.991 0.737 . . . . 71.44 112.991 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.604 HG23 ' HB3' ' A' ' 39' ' ' ALA . 16.9 mm -106.59 128.29 61.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.091 0.472 . . . . 72.42 111.131 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.7 p -87.6 179.66 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 70.31 110.375 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -68.3 -28.82 67.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.865 0.364 . . . . 71.22 110.82 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' A' ' 11' ' ' LEU . 2.3 tt0 -63.82 -46.67 84.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.204 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.604 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -73.17 -41.12 64.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.412 -0.358 . . . . 63.44 111.208 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.708 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 67.0 t-105 -60.77 -32.92 72.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.4 . . . . 72.4 110.699 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.48 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 53.14 110.752 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -73.52 -37.6 65.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.131 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' O ' ' N ' ' A' ' 47' ' ' GLN . 21.6 t-105 -67.83 -49.06 64.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.772 -0.649 . . . . 55.12 110.525 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.69 -44.83 38.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 74.45 111.29 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -66.53 -38.68 87.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.959 0.409 . . . . 61.45 110.433 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 49' ' ' MET . 1.6 tppt? -80.98 -19.3 44.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.01 -0.541 . . . . 74.13 110.654 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' TRP . 23.0 tt0 -74.73 -50.0 19.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.307 -0.406 . . . . 75.45 111.124 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -55.28 -36.94 66.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 74.14 111.928 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.553 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -73.83 -33.15 64.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.615 0.245 . . . . 74.2 111.294 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 83.8 mt -63.95 -41.56 97.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.971 0.415 . . . . 72.5 110.462 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.893 HD11 HD11 ' A' ' 67' ' ' LEU . 73.8 mt -65.6 -42.68 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.076 -0.511 . . . . 73.01 111.075 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -74.24 -28.91 61.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.165 -0.471 . . . . 75.53 111.11 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -84.9 -54.38 4.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.305 -0.407 . . . . 72.53 111.002 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -76.93 -7.61 55.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 71.11 110.827 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt 62.94 63.07 0.98 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.976 0.417 . . . . 74.11 110.872 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.82 ' HB2' HG23 ' A' ' 51' ' ' ILE . 40.1 mt -89.39 -172.18 3.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.009 -0.541 . . . . 75.54 110.645 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -158.53 104.8 1.82 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.417 . . . . 70.12 110.774 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.855 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -61.07 -19.18 61.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 34.55 111.39 -179.543 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -21.71 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 74.53 110.707 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -98.25 134.04 41.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.737 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.15 -24.39 63.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 75.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -36.38 80.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 72.21 111.197 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' A' ' 57' ' ' ASN . 50.7 m170 -85.47 -39.87 17.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 60.41 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -46.65 62.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.011 0.434 . . . . 71.4 110.242 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -70.79 -19.28 62.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.806 -0.634 . . . . 61.24 110.701 179.297 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.81 -38.69 53.47 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.626 -0.509 . . . . 65.44 109.626 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.893 HD11 HD11 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -64.23 -51.61 62.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.647 -0.706 . . . . 63.34 109.892 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HB2' ' HE2' ' A' ' 71' ' ' MET . 9.7 pt-20 -54.19 -23.73 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.73 -0.668 . . . . 75.24 110.15 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -47.41 45.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.808 -0.633 . . . . 75.11 110.293 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -63.78 -46.36 85.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.889 -0.596 . . . . 62.35 110.472 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.781 ' CE ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -46.98 -37.03 8.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.763 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 76' ' ' PHE . 89.8 t -58.92 -59.49 3.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.21 0.528 . . . . 73.42 110.262 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 7.5 t30 -52.01 -19.82 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.613 -0.721 . . . . 64.34 111.453 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.471 ' CE1' ' HE2' ' A' ' 46' ' ' LYS . 41.5 t80 -95.17 -48.88 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.572 -0.285 . . . . 74.22 111.745 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -103.53 -45.99 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.651 0.611 . . . . 74.13 112.651 -178.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.771 ' HB2' HG13 ' A' ' 72' ' ' VAL . 47.3 m-85 -99.75 28.52 4.67 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 112.504 0.557 . . . . 73.34 112.504 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -66.17 55.45 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.933 -0.576 . . . . 71.23 110.988 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.518 0 C-N-CA 120.261 -0.971 . . . . 72.21 114.052 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' HG2' ' A' ' 14' ' ' GLU . 3.9 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.818 0.342 . . . . 75.42 110.398 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 pt -81.83 -174.77 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.061 0.458 . . . . 72.21 111.391 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -126.28 102.85 7.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.68 -0.691 . . . . 72.41 109.713 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.688 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 22.9 t -63.46 150.99 42.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.442 -0.344 . . . . 65.22 111.167 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.485 HG22 HD13 ' A' ' 35' ' ' ILE . 15.3 t -100.77 -25.27 14.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.355 -0.384 . . . . 73.23 110.684 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 74' ' ' PHE . 40.7 t80 -74.08 -46.16 44.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 73.04 109.897 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.455 HD21 HE21 ' A' ' 42' ' ' GLN . 1.2 mt -90.19 -19.17 24.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.771 -0.65 . . . . 73.11 110.443 178.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 61.82 40.91 12.29 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.129 -0.487 . . . . 71.4 110.362 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -137.36 -172.79 3.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.916 -0.584 . . . . 73.2 110.606 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.631 ' HG2' HG22 ' A' ' 5' ' ' THR . 6.6 tt0 -107.86 118.15 35.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 65.42 110.486 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.67 169.88 11.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 54.41 111.474 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -12.64 61.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.94 -0.573 . . . . 72.43 111.43 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.33 161.71 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 53.22 112.505 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -76.19 -178.58 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 62.42 110.867 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -117.59 -25.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 63.02 111.416 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -137.13 141.14 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.442 -0.345 . . . . 75.5 111.128 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 32' ' ' TYR . 19.6 tt0 -58.96 111.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 75.54 110.763 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.41 -40.88 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 71.53 111.02 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.758 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -96.32 167.41 12.4 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 71.5 110.205 179.587 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.758 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 20.8 Cg_endo -91.5 -169.96 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.944 2.43 . . . . 65.33 112.694 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.41 -143.0 0.21 Allowed Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.409 -0.814 . . . . 62.31 114.723 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -44.72 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.199 -0.5 . . . . 61.3 111.882 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.731 HD23 ' HD2' ' A' ' 30' ' ' ARG . 2.7 mt -49.21 -46.35 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 70.03 110.384 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.687 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -60.02 -34.48 83.71 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.62 -0.8 . . . . 70.33 111.875 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -55.36 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.882 0.372 . . . . 74.43 110.213 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.731 ' HD2' HD23 ' A' ' 27' ' ' LEU . 2.2 ptp180 -57.27 -42.3 81.35 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.86 -0.609 . . . . 74.43 111.573 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.687 HD12 ' HA2' ' A' ' 28' ' ' GLY . 5.8 mt -62.63 -58.19 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 121.436 0.636 . . . . 73.55 109.588 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.457 ' HB2' ' HA ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -60.1 -18.28 45.96 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.073 -0.967 . . . . 75.01 110.566 178.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -97.4 -56.24 2.59 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.777 0.658 . . . . 73.34 112.777 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.688 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.1 mm-40 -94.51 -20.84 19.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.533 0.568 . . . . 71.44 112.533 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 9' ' ' THR . 20.5 mm -102.28 135.56 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.885 0.374 . . . . 72.42 110.756 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -100.95 175.5 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 70.31 111.183 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -59.22 -40.85 87.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 71.22 110.768 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.25 -44.89 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 72.33 110.731 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -70.98 -37.41 72.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 63.44 111.014 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 34.7 t-105 -64.63 -37.05 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 72.4 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.65 -19.59 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 53.14 110.923 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.455 HE21 HD21 ' A' ' 11' ' ' LEU . 8.5 mt-30 -83.33 -27.72 29.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.337 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' A' ' 75' ' ' LEU . 24.4 t-105 -81.87 -52.19 7.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.133 -0.485 . . . . 55.12 109.995 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -48.6 -42.64 34.58 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.065 -0.516 . . . . 74.45 110.756 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -65.28 -29.59 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 61.45 110.143 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 49' ' ' MET . 5.8 tptm -86.44 -21.21 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 74.13 110.536 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.592 ' HG3' HD21 ' A' ' 67' ' ' LEU . 1.9 tt0 -68.7 -47.33 66.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 75.45 110.406 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.8 t -57.74 -44.75 86.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 74.14 111.665 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 3.9 ptp -72.09 -42.22 66.39 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 111.733 0.271 . . . . 74.2 111.733 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 59.5 mt -57.9 -44.54 86.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 72.5 110.614 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.761 HG21 ' HE1' ' A' ' 58' ' ' MET . 90.1 mt -66.47 -38.94 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.114 -0.494 . . . . 73.01 110.964 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -76.54 -30.9 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 75.53 111.297 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -85.57 -54.29 4.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.605 -0.271 . . . . 72.53 110.903 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.95 -8.85 57.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.472 -0.331 . . . . 71.11 110.6 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 62.77 63.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.409 . . . . 74.11 110.838 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.642 ' HB2' HG23 ' A' ' 51' ' ' ILE . 72.9 mt -91.29 -174.93 4.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 75.54 110.429 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -152.28 106.16 3.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.402 . . . . 70.12 110.984 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.761 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.11 -20.96 28.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 34.55 111.22 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -21.13 35.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.535 -0.302 . . . . 74.53 110.812 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -96.38 130.1 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 73.54 110.801 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.25 95.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 75.0 111.37 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -36.51 66.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 72.21 110.991 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 27.0 m170 -85.3 -36.73 20.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.035 -0.529 . . . . 60.41 110.729 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.562 ' HA ' HH11 ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.26 -45.51 83.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.021 0.439 . . . . 71.4 110.098 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -73.72 -17.81 61.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.795 -0.639 . . . . 61.24 110.474 179.275 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.482 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -72.6 -39.47 67.29 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.458 -0.571 . . . . 65.44 109.458 178.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD21 ' HG3' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -64.33 -52.06 60.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 63.34 109.813 179.118 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.63 ' HB2' HD13 ' A' ' 27' ' ' LEU . 7.2 pt-20 -55.92 -24.36 37.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.764 -0.653 . . . . 75.24 110.093 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -70.59 -43.83 68.59 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.76 -0.655 . . . . 75.11 110.539 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.91 -39.07 66.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.028 -0.533 . . . . 62.35 110.654 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.617 ' HE1' ' HB2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -50.46 -37.11 36.66 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.336 -0.393 . . . . 72.11 110.885 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.803 HG13 ' HB2' ' A' ' 76' ' ' PHE . 84.2 t -61.35 -60.84 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 CA-C-O 121.036 0.446 . . . . 73.42 110.167 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 2.0 t-20 -50.41 -19.06 0.75 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 64.34 111.003 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CE2' ' CZ ' ' A' ' 10' ' ' PHE . 24.4 t80 -95.02 -50.43 5.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 74.22 111.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.24 -48.57 3.97 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.392 0.516 . . . . 74.13 112.392 -178.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.803 ' HB2' HG13 ' A' ' 72' ' ' VAL . 41.3 m-85 -93.91 28.66 2.33 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.941 0.4 . . . . 73.34 112.068 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 20.7 tt0 -66.94 60.25 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.729 -0.668 . . . . 71.23 110.804 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.567 0 C-N-CA 120.66 -0.781 . . . . 72.21 112.772 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.647 HG22 ' HG2' ' A' ' 14' ' ' GLU . 16.2 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.687 0.279 . . . . 75.42 110.733 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.1 pt -84.3 -176.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 72.21 111.192 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -121.74 98.96 6.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 72.41 109.991 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.7 t -60.82 148.4 39.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 65.22 110.842 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.573 HG22 ' CD1' ' A' ' 35' ' ' ILE . 14.6 t -98.04 -25.15 15.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 73.23 110.765 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -74.26 -43.99 54.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.034 0.445 . . . . 73.04 109.827 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 mt -89.67 -21.52 22.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.756 -0.656 . . . . 73.11 110.423 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 62.84 40.66 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 71.4 110.364 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.83 -177.28 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.893 -0.594 . . . . 73.2 110.175 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.647 ' HG2' HG22 ' A' ' 5' ' ' THR . 3.8 tt0 -100.37 110.48 22.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.812 0.339 . . . . 65.42 110.665 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.82 170.87 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 54.41 111.509 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -63.59 -27.55 69.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.026 -0.534 . . . . 72.43 111.163 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.94 161.22 6.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.899 -0.667 . . . . 53.22 112.674 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.895 ' OE1' HD13 ' A' ' 22' ' ' LEU . 76.6 mt-30 -64.54 -179.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 62.42 110.994 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.39 -28.04 6.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 63.02 110.804 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -146.33 153.05 40.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 75.5 110.747 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 48.2 tt0 -62.27 124.33 20.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 75.54 111.044 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.895 HD13 ' OE1' ' A' ' 18' ' ' GLN . 10.6 mp -92.45 -41.11 10.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.53 111.022 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.648 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -93.04 167.75 13.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 71.5 110.04 179.473 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.545 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.9 Cg_endo -90.93 -172.06 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.69 2.26 . . . . 65.33 112.798 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.47 -142.92 0.96 Allowed Glycine 0 N--CA 1.453 -0.229 0 CA-C-N 115.433 -0.803 . . . . 62.31 114.374 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.28 -35.63 30.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.245 -0.478 . . . . 61.3 111.38 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.847 HD12 HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -53.88 -49.45 68.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.038 -0.528 . . . . 70.03 110.858 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.781 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -61.54 -32.51 81.52 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.13 -1.033 . . . . 70.33 111.657 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 42.9 mttt -66.11 -43.38 87.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.686 0.279 . . . . 74.43 110.323 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.732 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.7 ptp180 -69.9 -39.81 76.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.42 -0.355 . . . . 74.43 111.161 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.847 HD11 HD12 ' A' ' 27' ' ' LEU . 6.6 mt -62.82 -52.92 53.54 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 121.592 0.71 . . . . 73.55 109.761 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -17.99 58.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.848 -1.069 . . . . 75.01 110.218 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 1.6 m-80 -97.19 -50.72 4.47 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.554 0.576 . . . . 73.34 112.554 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.1 mm-40 -98.94 -15.42 19.14 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.987 0.736 . . . . 71.44 112.987 -177.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.573 ' CD1' HG22 ' A' ' 9' ' ' THR . 19.4 mm -112.11 106.58 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.844 0.354 . . . . 72.42 111.373 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 t -68.54 176.82 2.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 70.31 110.71 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -66.15 -29.3 69.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 71.22 111.077 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -44.37 76.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 72.33 111.116 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.58 -35.01 67.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.43 -0.35 . . . . 63.44 111.15 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.641 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.5 t-105 -63.45 -33.88 76.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.35 -0.386 . . . . 72.4 110.754 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.4 -27.12 68.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 53.14 110.798 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -78.46 -33.85 48.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.114 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.787 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 31.4 t-105 -75.66 -51.93 11.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 55.12 110.244 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -48.91 -36.7 17.84 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.13 0.49 . . . . 74.45 110.249 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -70.25 -29.69 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.672 -0.695 . . . . 61.45 110.336 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -85.56 -25.91 26.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.236 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' HA ' HD11 ' A' ' 67' ' ' LEU . 4.7 tt0 -68.53 -48.15 65.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.0 -0.545 . . . . 75.45 110.406 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 t -54.01 -45.44 71.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 74.14 111.286 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.3 ptp -72.09 -41.96 66.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.67 0.271 . . . . 74.2 110.748 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 27.2 mt -57.59 -30.15 65.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.358 . . . . 72.5 110.368 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.721 HG21 ' HE1' ' A' ' 58' ' ' MET . 96.2 mt -84.85 -39.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 73.01 111.148 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -73.66 -31.84 63.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.499 . . . . 75.53 111.46 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.01 -54.35 4.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.594 -0.276 . . . . 72.53 111.407 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.15 -8.74 55.56 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.725 0.297 . . . . 71.11 110.932 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt 67.72 58.81 0.49 Allowed 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.863 0.363 . . . . 74.11 110.938 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.667 ' HB2' HG23 ' A' ' 51' ' ' ILE . 77.2 mt -96.45 -172.31 2.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 75.54 110.367 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -156.48 122.18 4.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.866 0.365 . . . . 70.12 110.634 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.721 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -70.32 -13.17 62.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 34.55 111.461 -179.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -26.68 24.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 74.53 110.435 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -90.27 112.45 24.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 73.54 110.685 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.25 -29.26 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 75.0 111.325 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.67 -37.17 86.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 72.21 110.846 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -85.22 -34.56 21.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 60.41 110.798 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -53.21 -45.89 68.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.838 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -28.06 66.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 61.24 110.849 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.535 HD22 HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -54.56 -46.73 73.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.743 0.306 . . . . 65.44 110.226 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.787 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 3.7 mm? -58.5 -47.46 84.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.38 -0.6 . . . . 63.34 109.38 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.685 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 2.5 tt0 -52.08 -23.51 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.304 -0.862 . . . . 75.24 110.211 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -81.21 -50.42 9.6 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.619 -0.718 . . . . 75.11 111.33 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.86 -30.85 62.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.822 0.344 . . . . 62.35 110.84 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -51.17 -50.31 59.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.264 -0.426 . . . . 72.11 111.117 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.797 HG13 ' HB2' ' A' ' 76' ' ' PHE . 65.0 t -50.97 -57.99 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 73.42 110.312 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -51.96 -21.29 2.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 64.34 111.107 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -94.83 -51.27 4.76 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.996 0.369 . . . . 74.22 111.996 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.684 HD11 ' CB ' ' A' ' 43' ' ' TRP . 1.5 mt -103.13 -46.27 4.68 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.425 0.528 . . . . 74.13 112.425 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.797 ' HB2' HG13 ' A' ' 72' ' ' VAL . 87.2 m-85 -95.49 28.18 3.06 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.48 0.548 . . . . 73.34 112.48 -178.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' VAL . 14.6 tt0 -68.25 58.41 0.08 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.028 0.442 . . . . 71.23 110.413 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.446 -0.679 0 CA-C-N 115.843 -0.617 . . . . 72.21 112.298 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.402 HG22 ' HG2' ' A' ' 14' ' ' GLU . 2.2 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.78 0.324 . . . . 75.42 111.134 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 pt -82.71 -176.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 72.21 111.047 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -121.28 99.55 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.877 -0.601 . . . . 72.41 109.864 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 1.4 p -59.0 142.71 50.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 65.22 110.606 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.553 HG22 HD13 ' A' ' 35' ' ' ILE . 9.2 t -98.28 -24.18 15.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.445 -0.343 . . . . 73.23 111.178 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -74.48 -41.79 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.727 -0.471 . . . . 73.04 109.727 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.88 -11.35 28.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 73.11 110.843 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 56.19 44.5 24.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.984 0.421 . . . . 71.4 110.195 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -142.02 -169.02 2.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 73.2 110.728 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HG2' HG22 ' A' ' 5' ' ' THR . 11.7 tt0 -106.31 116.63 32.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 65.42 110.87 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.88 161.12 22.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.379 . . . . 54.41 111.156 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.25 -16.46 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.27 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.98 176.76 8.23 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.672 -0.775 . . . . 53.22 112.603 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -91.0 169.56 10.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 62.42 110.883 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -102.49 -31.39 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 63.02 111.079 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -134.75 144.77 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 75.5 110.958 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 33.4 tt0 -61.42 133.46 55.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.399 -0.364 . . . . 75.54 110.853 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -95.6 -41.63 8.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 71.53 111.411 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.62 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -95.1 169.21 9.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 71.5 110.404 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.548 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 12.0 Cg_endo -94.58 -168.02 0.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.969 2.446 . . . . 65.33 112.886 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 39.75 -145.14 0.33 Allowed Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.393 -0.821 . . . . 62.31 114.515 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -81.26 -34.55 32.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.148 -0.526 . . . . 61.3 111.396 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.769 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -58.46 -46.94 85.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 70.03 110.375 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.622 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -59.49 -28.63 65.22 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.021 -1.085 . . . . 70.33 111.741 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -70.3 -39.71 74.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.669 0.271 . . . . 74.43 110.778 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.769 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.0 ptm85 -72.56 -38.28 67.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.509 -0.314 . . . . 74.43 111.192 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.622 HD12 ' HA2' ' A' ' 28' ' ' GLY . 5.2 mt -64.07 -52.76 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.477 0.656 . . . . 73.55 109.903 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -18.12 58.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.005 -0.998 . . . . 75.01 110.333 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -99.91 -53.35 3.19 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.962 0.727 . . . . 73.34 112.962 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 13.9 mt-10 -94.48 -20.23 19.86 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.741 0.645 . . . . 71.44 112.741 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.553 HD13 HG22 ' A' ' 9' ' ' THR . 23.6 mm -104.31 126.43 59.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.948 0.404 . . . . 72.42 110.739 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.2 p -91.83 176.97 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.913 -0.585 . . . . 70.31 110.868 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -61.58 -36.02 79.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.905 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -61.25 -45.23 95.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.992 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -71.26 -50.68 30.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 63.44 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.495 ' HZ3' ' HE2' ' A' ' 71' ' ' MET . 51.2 t-105 -53.01 -43.91 66.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.575 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.56 -29.12 61.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 53.14 110.769 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 5.3 mt-30 -77.82 -29.29 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 75.14 110.23 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.525 ' CZ2' HD22 ' A' ' 67' ' ' LEU . 28.8 t-105 -75.66 -47.94 24.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.857 -0.61 . . . . 55.12 110.57 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 9.1 mm100 -46.88 -46.41 21.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.398 . . . . 74.45 110.756 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.502 ' O ' HG22 ' A' ' 48' ' ' THR . 53.9 t60 -61.78 -52.39 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.926 -0.579 . . . . 61.45 110.592 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 10.3 tptp -68.88 -20.48 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.13 111.027 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' TRP . 1.4 tt0 -74.37 -54.49 7.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.893 0.377 . . . . 75.45 111.216 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 45' ' ' HIS . 13.3 t -54.04 -33.18 56.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 74.14 111.957 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -81.07 -40.18 24.56 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.073 -0.251 . . . . 74.2 111.273 -179.55 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 41.5 mt -55.75 -43.35 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 72.5 110.383 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.052 HD11 HD11 ' A' ' 67' ' ' LEU . 18.7 mt -67.33 -38.26 80.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.966 -0.561 . . . . 73.01 110.797 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -73.25 -32.57 64.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.077 -0.51 . . . . 75.53 111.032 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.17 -54.35 4.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.423 -0.353 . . . . 72.53 111.201 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -73.77 -10.44 59.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.722 0.296 . . . . 71.11 111.004 179.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? 68.07 60.42 0.42 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.893 0.377 . . . . 74.11 110.854 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.671 ' HB2' HG23 ' A' ' 51' ' ' ILE . 53.0 mt -92.21 178.41 5.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.246 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -155.65 102.68 2.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.983 0.421 . . . . 70.12 110.881 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.711 ' HE1' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -58.74 -18.74 34.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.783 -0.644 . . . . 34.55 111.49 -179.739 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -21.49 44.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 74.53 110.662 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.4 120.23 40.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.292 -0.413 . . . . 73.54 110.579 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.97 -23.94 55.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.498 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.62 -40.34 95.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 72.21 110.995 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.432 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 42.8 m170 -85.52 -35.72 20.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.144 -0.48 . . . . 60.41 110.787 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.2 OUTLIER -50.17 -46.64 54.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 71.4 110.625 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -66.41 -22.49 66.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.845 -0.616 . . . . 61.24 110.771 179.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -42.66 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 65.44 109.919 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.052 HD11 HD11 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -60.36 -50.03 75.23 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.017 -0.538 . . . . 63.34 109.812 179.125 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.712 ' HB2' HD13 ' A' ' 27' ' ' LEU . 8.6 pt-20 -55.22 -23.49 22.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.692 -0.685 . . . . 75.24 110.391 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -46.68 31.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.861 -0.609 . . . . 75.11 110.645 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.7 -41.83 87.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.897 -0.592 . . . . 62.35 111.086 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.495 ' HE2' ' HZ3' ' A' ' 40' ' ' TRP . 4.0 ptm -47.32 -35.4 7.96 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.42 -0.354 . . . . 72.11 110.962 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.829 HG13 ' HB2' ' A' ' 76' ' ' PHE . 99.9 t -64.39 -59.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.993 0.425 . . . . 73.42 110.27 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.2 t30 -51.09 -19.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 64.34 111.296 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -95.19 -49.66 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.273 . . . . 74.22 111.567 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -103.57 -43.41 5.38 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.913 0.709 . . . . 74.13 112.913 -178.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.829 ' HB2' HG13 ' A' ' 72' ' ' VAL . 74.9 m-85 -101.45 27.83 5.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.859 0.689 . . . . 73.34 112.859 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -68.97 58.54 0.1 Allowed 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 116.442 -0.345 . . . . 71.23 110.858 -179.758 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.541 0 C-N-CA 120.471 -0.871 . . . . 72.21 113.556 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 6' ' ' ILE . 2.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.758 0.313 . . . . 75.42 110.865 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.466 ' H ' HG22 ' A' ' 5' ' ' THR . 9.5 pt -139.62 176.12 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 72.21 110.616 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -110.39 98.89 8.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.266 -0.425 . . . . 72.41 110.091 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 36.2 t -65.42 144.06 57.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 65.22 110.873 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.566 HG22 HD13 ' A' ' 35' ' ' ILE . 14.9 t -97.15 -21.12 17.51 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.725 0.298 . . . . 73.23 111.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -74.29 -46.26 42.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.976 0.417 . . . . 73.04 110.023 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.606 HD12 ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -90.43 -15.02 31.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 73.11 110.692 179.071 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 60.73 42.05 14.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.017 0.437 . . . . 71.4 109.848 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.24 -173.75 4.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.689 . . . . 73.2 110.129 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.17 115.81 31.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 65.42 110.847 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.98 164.07 28.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.06 -0.518 . . . . 54.41 110.923 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.26 158.58 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 72.43 110.756 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.23 167.64 12.77 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.726 -0.75 . . . . 53.22 112.451 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.92 149.62 30.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 62.42 110.809 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.04 -27.45 43.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 63.02 111.445 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -141.33 138.85 33.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 75.5 111.349 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 51.2 tt0 -59.53 121.26 11.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.486 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.727 HD23 ' HE1' ' A' ' 40' ' ' TRP . 5.3 mp -83.11 -41.9 18.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 71.53 111.857 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.628 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.66 169.17 12.39 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.658 0.266 . . . . 71.5 110.451 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 14.4 Cg_endo -92.98 -172.99 0.37 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.893 2.395 . . . . 65.33 112.929 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.3 -144.81 0.13 Allowed Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.196 -0.911 . . . . 62.31 114.595 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.29 -37.16 53.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.22 -0.49 . . . . 61.3 111.395 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.854 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -51.19 -52.95 39.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 70.03 110.805 -179.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.661 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -57.72 -33.87 68.92 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.162 -1.018 . . . . 70.33 111.762 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -63.35 -52.83 60.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.52 0.2 . . . . 74.43 110.603 179.272 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.734 ' HD2' HD13 ' A' ' 27' ' ' LEU . 10.6 ptp180 -59.99 -40.83 90.51 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.609 -0.269 . . . . 74.43 110.871 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.854 HD11 HD12 ' A' ' 27' ' ' LEU . 8.0 mt -64.6 -59.66 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.276 0.56 . . . . 73.55 110.154 179.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -54.96 -18.34 4.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.409 -0.814 . . . . 75.01 110.366 178.745 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 28.8 m-20 -100.1 -48.48 4.62 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.152 0.797 . . . . 73.34 113.152 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.619 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 1.2 mm-40 -98.41 -23.5 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.746 0.647 . . . . 71.44 112.746 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.566 HD13 HG22 ' A' ' 9' ' ' THR . 18.9 mm -104.46 98.97 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 72.42 111.022 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.5 p -58.81 173.67 0.41 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.137 -0.483 . . . . 70.31 111.007 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -61.19 -35.51 77.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 71.22 110.677 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.76 -48.66 78.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 72.33 110.817 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -69.3 -31.88 70.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 63.44 110.578 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.727 ' HE1' HD23 ' A' ' 22' ' ' LEU . 52.2 t-105 -69.95 -38.38 76.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.543 . . . . 72.4 110.322 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.9 -28.46 70.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 53.14 110.535 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -74.88 -28.94 60.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 75.14 109.954 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 27.5 t-105 -77.55 -52.05 9.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 55.12 110.581 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.28 -40.72 17.44 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.961 0.41 . . . . 74.45 110.49 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 48' ' ' THR . 37.6 t60 -66.46 -39.4 88.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.824 -0.626 . . . . 61.45 110.061 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -78.28 -20.37 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.989 -0.551 . . . . 74.13 110.393 179.419 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.665 ' CG ' HD21 ' A' ' 67' ' ' LEU . 22.4 tt0 -72.1 -48.29 44.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 75.45 110.276 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 45' ' ' HIS . 5.6 t -55.61 -38.52 69.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.017 -0.538 . . . . 74.14 111.584 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -79.37 -37.1 38.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.81 0.338 . . . . 74.2 110.37 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.597 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 44.9 mt -64.33 -33.37 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 72.5 110.233 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.811 HG23 ' HB2' ' A' ' 56' ' ' LEU . 73.3 mt -80.91 -39.63 17.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 73.01 110.759 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.95 -30.36 61.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 75.53 111.091 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -86.19 -54.32 4.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.588 -0.278 . . . . 72.53 111.532 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -72.34 -8.08 52.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.595 0.236 . . . . 71.11 111.089 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 13.3 mmtp 65.62 61.09 0.69 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.805 0.336 . . . . 74.11 111.404 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.853 HD21 HD22 ' A' ' 66' ' ' LEU . 77.5 mt -93.45 -179.02 4.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.493 -0.321 . . . . 75.54 110.231 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -151.13 105.5 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 70.12 110.986 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.6 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.59 -23.71 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 34.55 111.413 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -20.24 46.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.519 -0.309 . . . . 74.53 111.259 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.53 118.15 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.811 0.339 . . . . 73.54 110.719 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.24 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 75.0 110.879 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -54.29 -39.12 66.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 72.21 111.149 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -85.13 -41.33 15.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 60.41 110.404 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -43.75 61.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.589 . . . . 71.4 110.349 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 62' ' ' GLU . 4.8 pttt -64.29 -31.21 72.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 61.24 110.088 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.853 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -59.6 -46.79 87.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.001 -0.545 . . . . 65.44 110.168 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -58.14 -42.0 84.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 63.34 109.839 179.131 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.499 ' HA ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -63.3 -20.05 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 75.24 109.868 178.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -79.32 -47.51 15.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.935 -0.575 . . . . 75.11 110.718 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -73.08 -38.43 66.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 62.35 111.23 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.499 ' SD ' ' HA ' ' A' ' 68' ' ' GLU . 3.1 ptm -49.09 -39.73 29.17 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.587 -0.279 . . . . 72.11 111.216 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.85 HG13 ' HB2' ' A' ' 76' ' ' PHE . 68.9 t -62.87 -57.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.957 0.408 . . . . 73.42 110.585 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -52.83 -18.63 1.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.549 . . . . 64.34 111.486 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -95.25 -49.55 5.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.697 0.284 . . . . 74.22 111.59 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.68 -44.85 4.97 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.988 0.736 . . . . 74.13 112.988 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.85 ' HB2' HG13 ' A' ' 72' ' ' VAL . 44.7 m-85 -100.1 28.58 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.784 0.661 . . . . 73.34 112.784 -178.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 4.9 tt0 -66.35 60.01 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.081 0.467 . . . . 71.23 111.019 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.449 -0.48 0 CA-C-N 115.765 -0.652 . . . . 72.21 112.216 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 CA--C 1.524 -0.04 0 CA-C-O 120.881 0.372 . . . . 75.42 110.292 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.0 pt -81.2 -175.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 72.21 111.348 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 17.2 t80 -115.46 101.65 9.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 72.41 110.215 179.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 35.9 t -65.1 144.49 57.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.522 -0.308 . . . . 65.22 110.279 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.61 HG22 HD13 ' A' ' 35' ' ' ILE . 14.8 t -99.24 -21.97 15.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.658 0.265 . . . . 73.23 111.064 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -74.69 -44.73 48.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.001 0.429 . . . . 73.04 110.072 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mt -89.39 -13.27 38.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 73.11 110.777 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 60.9 40.68 15.34 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.902 0.382 . . . . 71.4 110.367 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.76 -168.2 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 73.2 110.447 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.7 tt0 -107.8 118.94 38.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 65.42 110.61 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.91 165.39 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.939 0.399 . . . . 54.41 111.33 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.35 171.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 72.43 110.749 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.12 179.99 16.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.587 -0.816 . . . . 53.22 112.517 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.51 142.96 26.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.716 0.293 . . . . 62.42 111.06 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.69 -31.52 65.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 63.02 111.178 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -130.12 140.73 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.5 110.985 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.3 134.67 57.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.82 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mt -90.59 -43.96 9.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 71.53 111.169 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -92.15 171.43 7.71 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.52 -0.309 . . . . 71.5 110.239 179.296 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 13.3 Cg_endo -94.0 -174.59 0.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.195 2.597 . . . . 65.33 113.1 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 35.6 -144.15 0.09 OUTLIER Glycine 0 C--N 1.332 0.312 0 CA-C-N 115.263 -0.88 . . . . 62.31 114.814 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -39.94 62.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.373 -0.414 . . . . 61.3 111.277 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.923 HD12 HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -48.03 -55.11 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.982 -0.554 . . . . 70.03 110.968 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.867 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -60.12 -28.44 66.53 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.341 -0.933 . . . . 70.33 111.988 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -60.38 -56.45 21.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 74.43 110.343 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.71 -37.94 86.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.569 . . . . 74.43 111.554 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.923 HD11 HD12 ' A' ' 27' ' ' LEU . 7.2 mt -65.07 -63.24 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-O 121.467 0.651 . . . . 73.55 109.998 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -54.2 -18.27 3.69 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.152 -0.931 . . . . 75.01 110.109 178.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -97.86 -51.32 4.11 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.942 0.719 . . . . 73.34 112.942 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 72.1 mm-40 -97.84 -20.23 17.64 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.918 0.71 . . . . 71.44 112.918 -177.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.61 HD13 HG22 ' A' ' 9' ' ' THR . 16.8 mm -101.43 115.42 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.754 0.311 . . . . 72.42 110.752 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.7 p -81.44 171.65 14.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 70.31 111.263 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -60.03 -33.17 71.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 71.22 110.893 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -48.31 81.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.875 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.32 -42.55 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.44 110.932 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.514 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 40.3 t-105 -56.26 -41.31 75.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.262 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.67 80.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.955 -0.566 . . . . 53.14 110.496 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -67.19 -33.98 76.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 75.14 110.168 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.478 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 20.0 t-105 -71.54 -51.66 22.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.817 -0.629 . . . . 55.12 110.373 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 13.5 mm100 -48.15 -40.24 23.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.921 0.391 . . . . 74.45 110.655 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.428 ' O ' HG22 ' A' ' 48' ' ' THR . 30.0 t60 -64.89 -40.82 95.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 61.45 110.556 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 49' ' ' MET . 5.8 tptp -80.96 -19.8 43.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.027 0.441 . . . . 74.13 110.434 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' TRP . 43.3 tt0 -70.02 -52.45 24.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.834 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 45' ' ' HIS . 14.6 t -53.67 -42.93 68.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.099 -0.5 . . . . 74.14 111.792 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.493 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -74.31 -35.78 63.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.726 0.298 . . . . 74.2 110.952 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.655 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 21.3 mt -60.14 -30.67 69.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 72.5 110.355 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.021 HD11 HD11 ' A' ' 67' ' ' LEU . 69.2 mt -82.46 -42.96 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 73.01 110.949 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -72.36 -33.95 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 75.53 111.61 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -81.09 -51.23 8.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.634 0.254 . . . . 72.53 111.074 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -74.41 -6.37 47.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.447 -0.342 . . . . 71.11 110.748 179.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.77 59.01 1.19 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 120.889 0.376 . . . . 74.11 110.541 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.902 ' HB2' HG23 ' A' ' 51' ' ' ILE . 72.0 mt -92.75 -178.7 4.93 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.552 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.91 105.6 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.975 0.417 . . . . 70.12 110.728 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.678 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.75 -18.52 21.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.832 -0.622 . . . . 34.55 111.785 -179.577 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.22 -25.58 42.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 74.53 111.012 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' OD1' ' HB3' ' A' ' 62' ' ' GLU . 7.8 t-20 -95.92 121.91 38.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 73.54 110.753 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -58.91 -27.26 65.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 75.0 111.413 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 2.9 tm-20 -67.48 -36.37 81.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.458 -0.337 . . . . 72.21 111.169 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.428 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 26.3 m170 -85.39 -37.62 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 60.41 110.461 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -55.17 -45.15 75.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 71.4 110.25 179.515 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -63.62 -26.51 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.929 -0.578 . . . . 61.24 109.965 179.14 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.88 HD22 HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -64.56 -47.37 78.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.091 -0.504 . . . . 65.44 110.049 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.021 HD11 HD11 ' A' ' 51' ' ' ILE . 3.5 mt -52.57 -42.26 64.33 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.331 -0.618 . . . . 63.34 109.331 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.751 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -55.54 -24.36 31.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.948 -1.024 . . . . 75.24 110.763 179.378 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -80.25 -47.4 14.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.967 -0.56 . . . . 75.11 111.051 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' OE2' HD22 ' A' ' 50' ' ' LEU . 6.7 mt-10 -63.62 -46.24 86.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 62.35 111.446 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.416 ' SD ' ' CE2' ' A' ' 23' ' ' TYR . 2.4 ptm -45.32 -36.41 4.1 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.743 0.306 . . . . 72.11 111.156 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.843 HG13 ' HB2' ' A' ' 76' ' ' PHE . 37.8 t -63.33 -61.93 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.958 0.409 . . . . 73.42 110.526 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.29 -20.24 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 64.34 111.585 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -94.91 -50.44 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.609 0.243 . . . . 74.22 111.633 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 43' ' ' TRP . 1.1 mt -103.25 -42.96 5.58 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.797 0.665 . . . . 74.13 112.797 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.843 ' HB2' HG13 ' A' ' 72' ' ' VAL . 56.6 m-85 -101.71 28.62 5.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.41 0.522 . . . . 73.34 112.41 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.1 tm-20 -65.33 41.18 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.901 0.381 . . . . 71.23 111.655 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.445 -0.767 0 C-N-CA 121.336 -0.459 . . . . 72.21 112.057 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.852 0.358 . . . . 75.42 110.698 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 33' ' ' ASN . 24.0 pt -79.72 -175.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.21 111.407 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -123.91 100.46 6.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 72.41 109.852 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.657 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 31.1 t -59.27 146.18 40.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 65.22 110.865 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.465 HG22 HD13 ' A' ' 35' ' ' ILE . 13.7 t -97.23 -27.05 14.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 73.23 111.157 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 48.2 t80 -74.57 -40.15 61.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.097 0.475 . . . . 73.04 110.105 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.71 -13.38 22.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.618 -0.719 . . . . 73.11 110.859 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 54.89 43.37 30.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.249 -0.432 . . . . 71.4 110.677 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -138.5 -169.13 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.249 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.48 119.02 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.396 . . . . 65.42 110.947 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB3' ' HB3' ' A' ' 36' ' ' SER . . . -125.8 167.5 15.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 54.41 111.096 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -10.68 59.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 72.43 111.492 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.27 -174.1 10.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.615 -0.802 . . . . 53.22 112.566 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.53 177.48 5.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.74 0.305 . . . . 62.42 110.973 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.72 -23.66 8.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.315 -0.402 . . . . 63.02 111.54 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.637 ' CE2' HD11 ' A' ' 22' ' ' LEU . 4.1 p90 -141.65 138.42 32.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.827 0.346 . . . . 75.5 110.914 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' NE2' ' HA2' ' A' ' 25' ' ' GLY . 9.4 tt0 -67.49 120.77 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.241 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.637 HD11 ' CE2' ' A' ' 20' ' ' PHE . 8.5 mp -94.84 -39.1 10.42 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.15 -0.477 . . . . 71.53 110.554 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.76 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -84.03 169.06 18.19 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.576 -0.738 . . . . 71.5 110.76 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.76 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 2.1 Cg_endo -42.68 -177.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.877 3.052 . . . . 65.33 113.098 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.514 ' HA2' ' NE2' ' A' ' 21' ' ' GLN . . . -81.11 -52.5 4.27 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.798 -0.715 . . . . 62.31 114.644 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.55 -54.64 42.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.981 0.419 . . . . 61.3 111.016 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.684 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -84.2 -51.37 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.266 0.839 . . . . 70.03 113.266 -178.18 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.555 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -44.32 -27.99 1.32 Allowed Glycine 0 C--O 1.23 -0.14 0 C-N-CA 120.525 -0.845 . . . . 70.33 113.687 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -58.0 -60.3 3.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.857 0.328 . . . . 74.43 110.969 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -57.28 -38.78 74.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.49 -0.323 . . . . 74.43 111.538 -179.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.664 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 4.0 mt -66.5 -58.26 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.097 0.475 . . . . 73.55 110.284 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -61.17 -19.17 61.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.543 -0.753 . . . . 75.01 111.075 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.453 ' O ' HD12 ' A' ' 6' ' ' ILE . 53.8 m-20 -100.86 -49.36 4.17 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.994 0.739 . . . . 73.34 112.994 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.657 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.4 mm-40 -94.9 -25.36 16.6 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.993 0.738 . . . . 71.44 112.993 -177.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 20.4 mm -100.13 109.81 25.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.984 0.421 . . . . 72.42 111.003 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.474 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 77.5 p -70.41 177.9 3.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.821 -0.627 . . . . 70.31 110.905 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -64.7 -34.48 78.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.399 . . . . 71.22 111.033 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.14 -50.69 69.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 72.33 110.826 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -64.52 -33.74 76.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 63.44 110.698 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.664 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 49.9 t-105 -68.62 -38.26 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.797 -0.638 . . . . 72.4 110.64 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.56 -22.08 66.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 53.14 110.845 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -83.2 -25.68 31.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.291 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.624 ' HB2' HD11 ' A' ' 75' ' ' LEU . 18.3 t-105 -81.53 -49.27 10.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.895 -0.593 . . . . 55.12 110.35 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -48.69 -42.09 33.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.593 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.515 ' O ' HG22 ' A' ' 48' ' ' THR . 50.9 t60 -61.03 -43.34 99.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.132 -0.486 . . . . 61.45 109.914 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 49' ' ' MET . 13.0 tptt -74.71 -21.34 59.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 74.13 110.6 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.666 ' HG3' HD21 ' A' ' 67' ' ' LEU . 5.9 tt0 -70.36 -54.04 14.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 75.45 110.652 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 45' ' ' HIS . 12.7 t -53.64 -38.94 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 74.14 111.813 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -79.62 -43.69 22.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.594 0.235 . . . . 74.2 111.39 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 25.3 mt -55.18 -37.59 67.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.408 . . . . 72.5 110.665 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.797 HG23 ' HB2' ' A' ' 56' ' ' LEU . 83.3 mt -74.49 -39.1 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.009 -0.542 . . . . 73.01 111.253 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -76.73 -29.27 56.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.353 -0.385 . . . . 75.53 111.156 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -86.17 -53.43 5.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.474 -0.33 . . . . 72.53 111.249 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -74.17 -9.47 58.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.413 -0.358 . . . . 71.11 110.713 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.17 63.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 74.11 110.67 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.921 HD21 HD22 ' A' ' 66' ' ' LEU . 52.5 mt -93.85 -173.89 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 75.54 110.905 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -155.51 103.61 2.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 70.12 110.384 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.723 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.17 -21.83 35.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 34.55 111.374 -179.608 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -19.96 47.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.698 0.285 . . . . 74.53 110.835 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -98.77 124.66 43.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 73.54 110.767 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.78 -32.81 73.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.198 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -37.34 82.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 72.21 111.014 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -85.34 -38.72 18.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 60.41 110.79 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.92 -45.95 64.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.36 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -68.82 -22.37 64.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.925 -0.579 . . . . 61.24 110.418 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.921 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -68.96 -37.42 78.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.062 0.458 . . . . 65.44 109.867 179.315 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.666 HD21 ' HG3' ' A' ' 47' ' ' GLN . 0.7 OUTLIER -67.79 -47.29 69.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.884 -0.598 . . . . 63.34 109.711 179.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' CA ' ' HE2' ' A' ' 71' ' ' MET . 3.3 pt-20 -60.08 -23.47 63.81 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.708 -0.678 . . . . 75.24 109.976 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -75.23 -46.55 33.1 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.816 -0.629 . . . . 75.11 110.317 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.0 -43.2 75.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.484 . . . . 62.35 110.542 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.563 ' CE ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -47.89 -46.27 31.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.07 -0.514 . . . . 72.11 111.256 -179.771 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.826 HG13 ' HB2' ' A' ' 76' ' ' PHE . 88.7 t -53.78 -57.98 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 121.222 0.534 . . . . 73.42 110.054 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -51.14 -20.21 1.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.629 -0.714 . . . . 64.34 111.033 179.228 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -95.16 -50.06 5.23 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.343 -0.39 . . . . 74.22 111.426 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.26 -46.9 4.47 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.297 0.48 . . . . 74.13 112.297 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.826 ' HB2' HG13 ' A' ' 72' ' ' VAL . 95.1 m-85 -94.92 28.02 2.9 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 112.124 0.416 . . . . 73.34 112.124 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.0 tt0 -68.38 58.6 0.08 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.072 0.463 . . . . 71.23 110.826 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 C-N-CA 121.081 -0.58 . . . . 72.21 112.321 -179.861 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.554 HG22 ' HG2' ' A' ' 14' ' ' GLU . 7.4 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.849 0.357 . . . . 75.42 110.552 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 33' ' ' ASN . 28.2 pt -79.4 -173.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.059 -0.519 . . . . 72.21 111.375 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 9.2 t80 -119.39 103.8 9.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.762 -0.654 . . . . 72.41 110.133 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.666 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 43.3 t -67.61 148.45 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.374 . . . . 65.22 110.591 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.505 HG22 ' CD1' ' A' ' 35' ' ' ILE . 13.0 t -97.67 -21.85 16.78 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.846 0.355 . . . . 73.23 111.156 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 46.4 t80 -74.19 -48.52 28.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.034 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -15.2 33.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 73.11 110.627 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 60.34 41.38 16.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 71.4 110.372 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.02 -170.98 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 73.2 110.352 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HG2' HG22 ' A' ' 5' ' ' THR . 4.1 tt0 -104.6 114.87 29.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.442 -0.344 . . . . 65.42 110.904 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.01 168.62 19.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 54.41 111.143 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.38 176.71 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.724 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.76 168.73 21.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.674 -0.774 . . . . 53.22 112.519 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 1.7 mp0 -86.84 149.37 24.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.868 0.366 . . . . 62.42 110.702 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.19 -27.09 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 63.02 111.539 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -131.37 133.27 45.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.39 . . . . 75.5 111.239 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 38.1 tt0 -59.52 118.66 6.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 75.54 110.966 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HG ' ' NE1' ' A' ' 40' ' ' TRP . 3.0 mm? -73.72 -43.92 57.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.128 -0.487 . . . . 71.53 111.403 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.629 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -95.69 166.08 15.29 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 71.5 110.476 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -92.95 -169.59 0.24 Allowed 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.879 2.386 . . . . 65.33 112.971 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.3 -146.09 0.15 Allowed Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.229 -0.896 . . . . 62.31 114.493 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -75.79 -39.87 56.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.329 -0.436 . . . . 61.3 111.295 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.871 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -50.81 -54.02 27.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.982 -179.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.656 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -58.5 -30.68 65.46 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.519 -0.848 . . . . 70.33 112.671 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -43.73 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.623 0.249 . . . . 74.43 111.234 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.871 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.7 ptm180 -69.72 -37.98 76.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 74.43 111.286 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.791 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 5.0 mt -64.47 -59.67 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.551 0.691 . . . . 73.55 109.823 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.49 ' HB2' ' HA ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -56.11 -18.51 10.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.882 -1.054 . . . . 75.01 111.182 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.533 ' O ' HD12 ' A' ' 6' ' ' ILE . 33.7 m-20 -100.41 -55.16 2.67 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.857 0.688 . . . . 73.34 112.857 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.666 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 61.3 mm-40 -95.12 -17.81 21.49 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.751 0.649 . . . . 71.44 112.751 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.619 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 21.8 mm -104.02 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.021 0.439 . . . . 72.42 110.889 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.9 p -59.78 -174.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.64 -0.709 . . . . 70.31 111.039 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -73.13 -35.0 66.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.405 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.53 -49.79 73.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.845 -0.616 . . . . 72.33 111.15 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.94 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 63.44 111.092 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.791 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 28.2 t-105 -63.01 -41.3 99.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 72.4 110.647 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.88 -28.26 69.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 53.14 110.852 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -81.06 -31.24 34.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 75.14 109.902 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.546 ' CZ2' ' HB3' ' A' ' 71' ' ' MET . 22.6 t-105 -72.95 -49.71 27.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.915 -0.584 . . . . 55.12 109.985 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -43.39 32.7 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.996 0.427 . . . . 74.45 110.623 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -65.77 -31.59 72.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.789 -0.642 . . . . 61.45 110.629 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 49' ' ' MET . 1.2 tptt -86.05 -26.55 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 74.13 110.876 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.43 ' O ' HG13 ' A' ' 51' ' ' ILE . 34.0 tt0 -66.49 -51.83 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.967 0.413 . . . . 75.45 110.486 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.2 t -53.0 -38.54 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.846 -0.615 . . . . 74.14 112.129 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 2.0 ptp -80.19 -34.47 37.44 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.074 -0.25 . . . . 74.2 111.321 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 45.8 mt -64.72 -30.94 71.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 72.5 110.531 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.99 HD11 HD11 ' A' ' 67' ' ' LEU . 49.9 mt -77.44 -38.59 26.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 73.01 110.513 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -78.26 -33.83 49.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.783 -0.644 . . . . 75.53 111.301 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -78.66 -54.38 6.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.743 0.306 . . . . 72.53 111.055 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -75.71 -6.18 49.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.319 -0.4 . . . . 71.11 110.635 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm 61.67 61.92 1.37 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.331 -0.395 . . . . 74.11 110.835 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.993 HD21 HD22 ' A' ' 66' ' ' LEU . 52.0 mt -88.11 -174.95 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 75.54 110.404 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.61 101.64 1.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 70.12 110.61 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.71 ' CE ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -56.73 -18.21 11.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.846 -0.616 . . . . 34.55 111.79 -179.306 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -14.1 58.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.577 0.227 . . . . 74.53 111.488 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -115.21 129.51 56.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.962 0.411 . . . . 73.54 110.965 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.98 -34.66 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 75.0 111.349 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -42.8 67.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 72.21 111.398 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.434 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 47.9 m170 -85.65 -33.22 21.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 60.41 111.134 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -52.41 -52.64 52.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 71.4 110.746 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.556 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 3.1 pttp -64.31 -28.89 70.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.961 -0.563 . . . . 61.24 110.889 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.993 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -60.77 -37.82 83.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.967 0.413 . . . . 65.44 109.925 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.99 HD11 HD11 ' A' ' 51' ' ' ILE . 3.2 mt -63.73 -47.94 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 63.34 109.886 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.68 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.91 -24.99 26.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.816 -0.629 . . . . 75.24 110.483 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.41 -48.3 20.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 75.11 110.414 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.35 -49.32 77.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.564 . . . . 62.35 110.926 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.546 ' HB3' ' CZ2' ' A' ' 43' ' ' TRP . 8.9 ptm -50.61 -35.53 30.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.326 -0.397 . . . . 72.11 111.096 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.765 HG13 ' HB2' ' A' ' 76' ' ' PHE . 86.1 t -66.82 -59.49 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 120.927 0.394 . . . . 73.42 110.269 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 4.5 t30 -52.01 -18.93 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 64.34 111.033 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -95.24 -51.13 4.74 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.509 -0.314 . . . . 74.22 111.651 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -103.26 -44.17 5.25 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.421 0.526 . . . . 74.13 112.421 -178.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.765 ' HB2' HG13 ' A' ' 72' ' ' VAL . 91.2 m-85 -97.22 28.62 3.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.36 0.504 . . . . 73.34 112.36 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 31.4 tt0 -67.09 59.25 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.192 0.52 . . . . 71.23 110.615 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.45 -0.417 0 CA-C-N 115.616 -0.72 . . . . 72.21 111.825 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.849 0.356 . . . . 75.42 110.952 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.3 pt -82.35 -175.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 72.21 111.387 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 11.3 t80 -120.76 100.79 7.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.566 . . . . 72.41 110.126 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.8 t -59.32 144.64 45.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.369 -0.378 . . . . 65.22 110.78 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.635 HG22 HD13 ' A' ' 35' ' ' ILE . 14.8 t -97.02 -25.1 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.591 -0.277 . . . . 73.23 111.115 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 54.5 t80 -74.61 -42.71 58.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.029 0.442 . . . . 73.04 110.144 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.62 -13.1 32.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.881 -0.6 . . . . 73.11 110.595 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 57.27 42.6 24.94 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.37 -0.377 . . . . 71.4 110.031 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -141.35 -166.39 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.907 -0.588 . . . . 73.2 110.522 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 1.3 tt0 -111.32 117.86 34.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 65.42 110.949 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HB3' ' CB ' ' A' ' 36' ' ' SER . . . -122.58 -178.49 3.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 54.41 111.272 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.89 -12.75 59.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 72.43 111.453 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 36' ' ' SER . . . 59.56 174.09 0.73 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.625 -0.798 . . . . 53.22 112.43 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.573 HE22 HG22 ' A' ' 31' ' ' ILE . 52.5 mt-30 -83.73 175.83 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 62.42 110.822 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.06 -26.41 7.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 63.02 111.254 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -142.27 143.15 32.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 75.5 111.089 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 24' ' ' PRO . 20.1 tt0 -66.22 122.05 16.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.99 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.25 -36.8 9.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.522 . . . . 71.53 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.697 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -85.94 169.01 16.75 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.824 -0.625 . . . . 71.5 110.617 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.697 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 3.4 Cg_endo -43.97 -173.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.585 2.857 . . . . 65.33 113.109 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.96 -74.57 0.57 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 115.466 0.946 . . . . 62.31 115.466 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -53.95 -55.65 25.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.504 0.557 . . . . 61.3 112.504 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.74 HD22 ' HE3' ' A' ' 71' ' ' MET . 5.5 mt -74.46 -54.61 7.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.757 0.651 . . . . 70.03 112.757 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.858 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -50.19 -20.5 3.44 Favored Glycine 0 C--O 1.229 -0.179 0 C-N-CA 120.203 -0.999 . . . . 70.33 113.673 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -57.22 5.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.066 0.433 . . . . 74.43 111.121 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.672 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 8.2 ptp180 -58.36 -37.46 75.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.667 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.858 HD12 ' HA2' ' A' ' 28' ' ' GLY . 5.0 mt -63.73 -55.52 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 121.642 0.734 . . . . 73.55 109.596 178.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -20.5 38.15 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.584 -1.189 . . . . 75.01 110.811 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -100.56 -53.38 3.1 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.101 0.778 . . . . 73.34 113.101 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.571 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -95.1 -24.21 16.97 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.976 0.732 . . . . 71.44 112.976 -178.006 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.635 HD13 HG22 ' A' ' 9' ' ' THR . 17.6 mm -99.49 98.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.953 0.406 . . . . 72.42 110.79 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.414 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 80.3 p -62.69 -179.32 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.895 -0.593 . . . . 70.31 111.046 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -69.67 -34.8 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.22 111.124 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -60.25 -50.97 71.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.959 0.409 . . . . 72.33 110.459 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.87 78.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 63.44 110.56 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.722 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 31.2 t-105 -62.81 -47.1 84.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.601 . . . . 72.4 110.812 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.39 -21.42 36.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 53.14 111.194 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -82.05 -34.95 29.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.883 0.373 . . . . 75.14 110.04 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 17.2 t-105 -72.84 -51.78 17.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 55.12 110.121 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -46.18 -43.42 15.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.948 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.492 ' O ' HG22 ' A' ' 48' ' ' THR . 51.8 t60 -61.66 -42.6 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 61.45 110.55 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 0.8 OUTLIER -78.16 -24.44 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 74.13 110.822 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.411 ' HG3' HD13 ' A' ' 67' ' ' LEU . 8.0 tt0 -65.96 -51.54 57.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 75.45 111.012 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 45' ' ' HIS . 14.3 t -54.63 -41.98 70.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.432 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.436 ' SD ' ' HA ' ' A' ' 46' ' ' LYS . 2.8 ptm -77.78 -29.44 50.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.626 0.251 . . . . 74.2 110.859 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.653 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 13.1 mt -65.94 -29.22 69.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 72.5 110.251 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.879 HD11 HD11 ' A' ' 67' ' ' LEU . 63.2 mt -83.67 -37.26 13.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.037 -0.529 . . . . 73.01 110.655 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -73.14 -49.03 30.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.968 -0.56 . . . . 75.53 111.186 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.74 -53.55 26.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 72.53 111.405 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.653 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -73.22 -13.97 61.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.339 . . . . 71.11 110.909 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt 66.86 63.09 0.49 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.345 -0.389 . . . . 74.11 111.107 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.827 ' HB2' HG23 ' A' ' 51' ' ' ILE . 73.3 mt -93.37 179.51 5.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.446 -0.343 . . . . 75.54 110.423 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -144.39 108.88 4.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.779 0.323 . . . . 70.12 110.814 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.803 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.45 -21.81 65.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 34.55 111.692 -179.37 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -28.75 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 74.53 110.988 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.74 125.99 38.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.352 -0.386 . . . . 73.54 110.703 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -63.9 -28.72 70.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 75.0 111.391 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.15 -40.94 82.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.326 -0.397 . . . . 72.21 111.433 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.421 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 39.6 m170 -85.65 -38.53 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 60.41 110.889 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.89 -46.01 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 71.4 110.384 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -65.66 -28.34 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 61.24 110.333 179.343 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.551 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -64.46 -45.13 88.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.013 -0.54 . . . . 65.44 110.408 179.484 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.879 HD11 HD11 ' A' ' 51' ' ' ILE . 3.4 mt -55.35 -47.15 76.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.026 -0.534 . . . . 63.34 110.536 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 10.8 mt-10 -50.77 -25.75 4.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 75.24 110.605 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -52.59 10.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 75.11 111.115 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -56.15 -52.04 65.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 62.35 111.256 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.74 ' HE3' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -43.67 -42.45 5.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.081 -0.509 . . . . 72.11 111.761 -179.322 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.813 HG13 ' HB2' ' A' ' 76' ' ' PHE . 97.3 t -54.57 -57.53 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.905 0.383 . . . . 73.42 110.592 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 3.1 t30 -51.8 -20.34 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 64.34 111.419 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.433 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 27.4 t80 -95.4 -51.24 4.66 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.926 0.343 . . . . 74.22 111.926 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -101.95 -45.13 5.29 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.55 0.574 . . . . 74.13 112.55 -178.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.813 ' HB2' HG13 ' A' ' 72' ' ' VAL . 49.5 m-85 -97.78 28.58 3.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.315 0.487 . . . . 73.34 112.315 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -67.8 60.26 0.07 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.47 -0.787 . . . . 71.23 110.683 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.629 0 CA-C-N 115.658 -0.701 . . . . 72.21 112.119 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.866 0.365 . . . . 75.42 110.275 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.4 pt -80.64 -178.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.138 0.494 . . . . 72.21 111.56 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -117.95 95.8 5.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.568 -0.742 . . . . 72.41 109.766 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.71 147.16 34.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 65.22 110.751 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.602 HG22 HD13 ' A' ' 35' ' ' ILE . 15.3 t -97.93 -24.2 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 73.23 110.972 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -74.52 -45.5 45.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.04 110.23 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -88.78 -17.11 30.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.895 -0.593 . . . . 73.11 110.482 179.048 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 60.62 41.29 15.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 71.4 110.143 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.29 -174.84 4.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 73.2 110.419 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -99.09 113.23 25.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.691 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.62 158.29 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 54.41 110.878 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.08 -19.78 47.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 72.43 111.284 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.09 -167.8 54.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.763 . . . . 53.22 112.437 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.67 179.86 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 62.42 110.828 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -122.56 -26.48 4.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 63.02 111.513 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -134.04 134.87 42.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 75.5 111.44 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 21.5 tt0 -60.72 127.96 34.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 75.54 110.753 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.546 HD13 ' NE1' ' A' ' 40' ' ' TRP . 1.9 mt -93.18 -41.19 10.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 71.53 111.184 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.646 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -94.82 166.97 13.96 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.408 -0.36 . . . . 71.5 110.116 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.535 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 11.1 Cg_endo -93.85 -176.72 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.966 2.444 . . . . 65.33 113.006 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.12 -141.95 5.12 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.43 -0.805 . . . . 62.31 114.145 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -81.2 -39.42 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.525 -0.338 . . . . 61.3 111.326 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.793 ' HG ' ' HG3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -49.62 -54.2 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.103 0.478 . . . . 70.03 110.557 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.646 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.85 -30.99 60.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.298 -0.953 . . . . 70.33 111.368 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -50.99 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 74.43 110.212 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.655 ' HD2' HD13 ' A' ' 27' ' ' LEU . 4.8 ptp180 -63.81 -42.2 97.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 74.43 110.955 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.759 HD11 HD12 ' A' ' 27' ' ' LEU . 10.5 mt -62.05 -56.75 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.586 0.707 . . . . 73.55 109.408 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.59 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -58.45 -18.46 28.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.847 -1.07 . . . . 75.01 109.719 178.137 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -91.9 -64.44 1.11 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.71 0.633 . . . . 73.34 112.71 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.6 -12.35 27.63 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.957 0.725 . . . . 71.44 112.957 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.616 HG21 HD22 ' A' ' 75' ' ' LEU . 16.0 mm -108.27 92.93 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.982 0.42 . . . . 72.42 111.035 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 p -60.82 -178.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 70.31 110.73 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -68.44 -32.05 71.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.387 -0.369 . . . . 71.22 111.241 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.53 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.1 tt0 -61.76 -45.36 94.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.4 -0.364 . . . . 72.33 111.074 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.87 -37.89 64.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 63.44 110.751 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 54.5 t-105 -61.96 -33.07 73.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 72.4 110.838 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.48 -27.53 66.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 53.14 111.067 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -77.29 -33.86 55.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.047 0.451 . . . . 75.14 109.995 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 19.8 t-105 -70.97 -50.22 36.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.885 -0.598 . . . . 55.12 110.106 179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -52.75 -38.44 60.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.378 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.428 ' O ' HG22 ' A' ' 48' ' ' THR . 17.8 t60 -64.3 -32.21 73.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.754 -0.657 . . . . 61.45 110.138 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 7.5 tptt -87.78 -25.35 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 74.13 110.783 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.613 ' HG3' HD21 ' A' ' 67' ' ' LEU . 2.9 tt0 -60.69 -51.41 69.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 75.45 110.295 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 45' ' ' HIS . 12.1 t -49.45 -43.73 45.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 74.14 111.524 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 5.3 ptp -78.01 -35.57 49.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 74.2 110.879 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.552 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 17.0 mt -63.94 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.391 . . . . 72.5 110.546 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.827 HG23 ' HB2' ' A' ' 56' ' ' LEU . 64.9 mt -83.16 -46.33 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 73.01 111.135 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -71.07 -27.26 63.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 75.53 111.454 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -86.26 -54.0 4.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.505 -0.316 . . . . 72.53 111.502 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -75.04 -5.61 45.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.556 -0.293 . . . . 71.11 111.391 -179.645 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER 66.75 60.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 74.11 110.897 -179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.827 ' HB2' HG23 ' A' ' 51' ' ' ILE . 90.5 mt -97.72 170.9 8.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 75.54 110.148 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -145.12 105.53 4.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 70.12 111.036 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.601 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -55.49 -19.11 8.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 34.55 111.57 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -28.36 41.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.762 0.315 . . . . 74.53 110.645 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.44 105.55 17.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.479 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -45.87 -30.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 75.0 111.639 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 14.1 tp10 -64.11 -33.97 76.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 72.21 111.258 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -85.38 -39.22 17.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.257 -0.429 . . . . 60.41 110.824 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -38.63 60.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.346 -0.388 . . . . 71.4 110.269 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 11.1 ptpt -75.26 -26.85 59.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 61.24 110.065 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.59 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -61.84 -43.44 98.84 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.281 -0.637 . . . . 65.44 109.281 178.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD21 ' HG3' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -60.08 -33.95 72.79 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.04 -0.726 . . . . 63.34 109.04 178.309 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.793 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 42.9 tt0 -61.85 -21.92 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.233 -0.894 . . . . 75.24 110.161 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -82.42 -49.99 9.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 75.11 110.888 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -64.6 -32.59 74.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 62.35 110.989 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.487 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 3.1 ptm -56.85 -34.18 67.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.403 -0.362 . . . . 72.11 111.377 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.828 HG13 ' HB2' ' A' ' 76' ' ' PHE . 86.3 t -62.16 -59.51 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 73.42 110.565 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 49.4 t-20 -50.51 -19.67 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 64.34 111.389 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -95.32 -50.46 5.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.493 -0.322 . . . . 74.22 111.656 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.616 HD22 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -103.4 -45.17 4.94 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.775 0.657 . . . . 74.13 112.775 -178.418 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.828 ' HB2' HG13 ' A' ' 72' ' ' VAL . 54.7 m-85 -97.81 28.58 3.8 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.03 0.382 . . . . 73.34 112.03 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 1.3 tt0 -66.29 58.25 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.857 -0.61 . . . . 71.23 111.113 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.522 0 C-N-CA 120.943 -0.646 . . . . 72.21 112.51 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.47 HG22 ' HG2' ' A' ' 14' ' ' GLU . 18.5 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.816 0.341 . . . . 75.42 110.663 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.9 pt -80.98 -177.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 72.21 111.196 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 4.6 t80 -118.96 100.46 7.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.921 -0.581 . . . . 72.41 110.001 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 22.8 t -62.32 145.8 52.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 65.22 110.782 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.522 HG22 HD13 ' A' ' 35' ' ' ILE . 13.5 t -96.89 -22.21 17.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 73.23 110.629 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -74.3 -44.89 50.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 73.04 109.842 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -92.43 -18.46 23.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.577 -0.738 . . . . 73.11 110.628 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 62.36 41.17 10.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 71.4 110.485 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HD2' ' HB3' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -140.24 -173.82 3.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 73.2 110.372 179.123 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.47 ' HG2' HG22 ' A' ' 5' ' ' THR . 3.6 tt0 -103.51 112.71 25.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 65.42 110.764 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' HG23 ' A' ' 5' ' ' THR . . . -120.96 158.94 26.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 54.41 111.286 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.03 -22.12 36.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 72.43 111.433 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.46 -151.88 52.0 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.795 -0.717 . . . . 53.22 112.869 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -116.44 167.14 11.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.85 0.357 . . . . 62.42 110.977 -179.738 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -106.86 -23.57 12.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 63.02 111.182 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -138.41 144.24 40.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 75.5 111.016 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 45.5 tt0 -64.21 118.69 8.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.81 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.401 HD12 ' NE1' ' A' ' 40' ' ' TRP . 20.5 mt -84.32 -36.93 22.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 71.53 111.579 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.65 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -100.97 164.09 16.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.607 0.242 . . . . 71.5 110.544 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 9.0 Cg_endo -92.21 -165.41 0.15 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.901 2.401 . . . . 65.33 112.718 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.63 -148.81 0.52 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.392 -0.822 . . . . 62.31 114.128 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -81.51 -38.13 26.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.135 -0.533 . . . . 61.3 111.581 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.647 HD22 ' SD ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -56.08 -46.06 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 70.03 110.5 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.615 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -58.07 -34.84 74.21 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.17 -1.014 . . . . 70.33 111.856 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -41.94 77.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.564 0.221 . . . . 74.43 110.985 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 16.2 ptm180 -70.07 -43.8 70.41 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.615 -0.266 . . . . 74.43 110.936 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.624 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 6.5 mt -60.12 -53.51 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 CA-C-O 121.628 0.728 . . . . 73.55 109.434 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -60.15 -18.26 46.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.684 -1.144 . . . . 75.01 109.97 178.538 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -96.54 -54.87 3.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.906 0.706 . . . . 73.34 112.906 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 20.3 mt-10 -94.68 -16.17 23.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.794 0.665 . . . . 71.44 112.794 -177.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.587 ' CG2' HD22 ' A' ' 75' ' ' LEU . 15.2 mm -109.34 127.35 66.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.887 0.375 . . . . 72.42 110.585 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -94.49 178.28 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 70.31 111.202 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HG2' ' HG3' ' A' ' 18' ' ' GLN . 4.3 mttm -63.04 -37.08 85.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 71.22 110.973 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 2.4 tt0 -57.83 -44.82 86.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.866 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.21 -36.76 29.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.496 -0.32 . . . . 63.44 110.849 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.624 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 52.8 t-105 -62.64 -38.16 89.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 72.4 110.35 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.0 94.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.117 -0.492 . . . . 53.14 110.345 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 17.3 mt-30 -64.18 -33.23 75.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 75.14 110.215 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.684 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 26.1 t-105 -70.38 -49.87 44.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 55.12 110.489 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.75 -50.68 43.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 74.45 110.515 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -57.56 -31.86 66.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.933 -0.576 . . . . 61.45 110.351 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 3.2 tppt? -83.68 -28.79 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 74.13 110.594 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.573 ' HA ' HD11 ' A' ' 67' ' ' LEU . 24.2 tt0 -62.18 -53.84 49.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 75.45 110.465 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 49' ' ' MET . 13.9 t -53.58 -48.67 68.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.846 -0.615 . . . . 74.14 111.623 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.467 ' N ' HG23 ' A' ' 48' ' ' THR . 20.0 ptm -66.68 -35.17 79.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 74.2 111.167 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.617 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 15.6 mt -58.91 -34.65 71.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.021 0.439 . . . . 72.5 110.386 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.795 HG23 ' HB2' ' A' ' 56' ' ' LEU . 52.0 mt -80.66 -37.85 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 73.01 111.074 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -73.11 -40.31 65.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.89 -0.596 . . . . 75.53 111.649 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -78.56 -54.34 6.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.642 -0.254 . . . . 72.53 111.572 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.4 -8.51 54.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.603 0.239 . . . . 71.11 111.238 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? 63.87 60.37 1.05 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.806 0.336 . . . . 74.11 110.975 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.948 HD21 HD22 ' A' ' 66' ' ' LEU . 81.9 mt -92.85 -175.77 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.536 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.85 102.13 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.945 0.402 . . . . 70.12 110.821 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.735 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -61.79 -14.08 29.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 34.55 111.58 -179.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 ttm -79.43 -8.67 59.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.707 0.289 . . . . 74.53 110.808 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.48 124.88 46.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 73.54 110.493 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.456 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -54.0 -35.53 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 75.0 111.36 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -54.43 -43.19 71.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.393 . . . . 72.21 111.474 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -85.58 -39.2 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 60.41 110.996 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -47.11 -48.9 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 71.4 110.999 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -65.89 -26.92 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 61.24 110.838 179.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.948 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -55.09 -44.18 74.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.375 -0.375 . . . . 65.44 110.702 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.684 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -61.89 -45.19 94.81 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.82 -0.437 . . . . 63.34 109.82 179.191 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.609 ' CG ' HD13 ' A' ' 27' ' ' LEU . 18.6 tt0 -57.76 -21.58 42.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.781 -0.645 . . . . 75.24 110.138 179.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -80.38 -50.37 10.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.789 -0.641 . . . . 75.11 110.622 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.82 -25.63 67.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 62.35 111.534 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.647 ' SD ' HD22 ' A' ' 27' ' ' LEU . 3.1 ptm -58.39 -33.98 70.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 72.11 110.97 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.784 HG13 ' HB2' ' A' ' 76' ' ' PHE . 83.6 t -63.51 -59.71 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.204 0.526 . . . . 73.42 109.776 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -48.46 -22.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.717 -0.674 . . . . 64.34 111.52 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -93.39 -53.11 4.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.525 -0.307 . . . . 74.22 111.667 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.587 HD22 ' CG2' ' A' ' 35' ' ' ILE . 1.1 mt -101.97 -39.57 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.845 0.683 . . . . 74.13 112.845 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.784 ' HB2' HG13 ' A' ' 72' ' ' VAL . 30.8 m-85 -101.67 28.72 5.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.94 0.4 . . . . 73.34 111.606 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 tt0 -66.74 59.44 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.586 -0.733 . . . . 71.23 110.703 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 110.879 -0.889 . . . . 72.21 110.879 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 75.42 110.513 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt -80.08 -175.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 72.21 111.34 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 7.0 t80 -119.66 96.73 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 72.41 110.265 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 24.4 t -59.46 146.66 39.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 65.22 110.849 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.588 HG22 HD13 ' A' ' 35' ' ' ILE . 15.2 t -98.03 -24.53 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 73.23 110.729 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -74.38 -45.0 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.112 0.482 . . . . 73.04 109.965 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.0 -18.75 28.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.64 -0.709 . . . . 73.11 110.728 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 62.48 40.49 10.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.417 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -142.17 -171.17 3.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.972 -0.558 . . . . 73.2 110.39 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -106.88 114.22 28.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 65.42 110.45 179.646 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.98 158.97 43.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.052 0.454 . . . . 54.41 111.663 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 176.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 72.43 110.799 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -128.72 -172.9 13.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.55 -0.833 . . . . 53.22 112.791 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.0 143.61 32.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 62.42 110.529 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -27.62 35.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 63.02 111.29 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -130.11 132.76 46.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.351 . . . . 75.5 111.24 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 26.9 tt0 -60.55 137.35 58.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.622 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.2 mt -96.75 -42.25 8.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 71.53 111.365 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.647 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -93.92 160.43 32.45 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.352 -0.385 . . . . 71.5 110.262 179.643 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.604 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 24.5 Cg_endo -89.29 -176.48 1.33 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.55 2.167 . . . . 65.33 113.195 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.96 -139.79 1.99 Allowed Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.182 -0.917 . . . . 62.31 114.267 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HB2' HH21 ' A' ' 30' ' ' ARG . 4.3 mm-40 -81.44 -43.36 19.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.324 -0.438 . . . . 61.3 111.977 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 68' ' ' GLU . 3.7 mt -47.11 -45.8 22.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.902 0.382 . . . . 70.03 110.211 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.68 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -65.44 -32.17 82.61 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.687 -0.768 . . . . 70.33 112.252 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 4.8 ttpp -61.35 -55.71 28.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 74.43 110.318 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 1.8 ptp180 -59.92 -42.44 93.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.015 -0.538 . . . . 74.43 112.106 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.804 HD11 ' HE1' ' A' ' 71' ' ' MET . 8.0 mt -60.51 -59.27 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-O 121.654 0.74 . . . . 73.55 109.879 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.8 -17.9 27.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.73 -1.123 . . . . 75.01 110.371 179.011 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.2 m-80 -95.51 -61.25 1.5 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.389 0.514 . . . . 73.34 112.389 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.562 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 mm-40 -94.59 -15.96 23.63 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.904 0.705 . . . . 71.44 112.904 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.588 HD13 HG22 ' A' ' 9' ' ' THR . 13.0 mm -105.0 94.61 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 72.42 110.6 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 p -58.46 -177.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.044 -0.525 . . . . 70.31 110.793 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -27.48 62.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 71.22 110.812 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -47.11 72.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 72.33 110.783 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.43 -40.62 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 63.44 110.975 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.468 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 32.5 t-105 -60.28 -35.88 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.779 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.19 -23.25 65.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 53.14 111.093 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -80.1 -27.87 39.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.385 . . . . 75.14 110.224 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.704 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 24.9 t-105 -81.46 -52.82 6.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.038 -0.528 . . . . 55.12 110.342 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -48.0 -40.27 22.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 74.45 110.581 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -65.22 -33.01 74.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.847 -0.615 . . . . 61.45 110.037 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' O ' ' HG3' ' A' ' 49' ' ' MET . 9.7 tptt -86.39 -19.53 29.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.853 -0.612 . . . . 74.13 110.639 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.498 ' HA ' HD11 ' A' ' 67' ' ' LEU . 2.2 tt0 -70.01 -46.91 64.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 75.45 110.516 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 t -57.53 -40.87 79.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.994 -0.548 . . . . 74.14 111.788 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.564 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -74.11 -37.3 64.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.692 0.282 . . . . 74.2 111.235 -179.578 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.582 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 50.0 mt -62.25 -28.96 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 72.5 110.818 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.814 HG21 ' CE ' ' A' ' 58' ' ' MET . 70.6 mt -84.16 -36.07 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.013 0.435 . . . . 73.01 110.942 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -77.88 -32.55 51.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.734 -0.667 . . . . 75.53 111.161 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -82.68 -54.46 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 72.53 111.404 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -72.31 -8.42 54.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.541 -0.3 . . . . 71.11 111.094 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt 65.69 60.81 0.7 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.842 0.354 . . . . 74.11 110.418 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.737 ' HB2' HG23 ' A' ' 51' ' ' ILE . 72.6 mt -95.26 -175.74 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 75.54 110.587 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' H ' ' HB3' ' A' ' 63' ' ' HIS . 1.0 OUTLIER -152.76 106.14 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.431 -0.349 . . . . 70.12 110.692 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.814 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -61.92 -11.53 13.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 34.55 111.713 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 ttt -79.46 -20.63 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.729 0.299 . . . . 74.53 110.692 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.49 132.04 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.54 110.564 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.05 -29.83 71.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 75.0 111.172 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -65.32 -35.59 81.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 72.21 110.879 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.414 ' HB3' ' H ' ' A' ' 57' ' ' ASN . 35.1 m170 -85.17 -36.21 21.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 60.41 110.723 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HA ' HH11 ' A' ' 64' ' ' ARG . 1.1 tpt85 -57.86 -42.29 84.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.4 110.412 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.689 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -68.18 -17.32 64.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.829 -0.623 . . . . 61.24 110.782 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.493 HD22 HD11 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -68.06 -43.78 77.85 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.668 -0.413 . . . . 65.44 109.931 179.27 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD21 ' CG1' ' A' ' 51' ' ' ILE . 2.7 mm? -62.59 -47.8 82.21 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.615 -0.513 . . . . 63.34 109.615 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 7.0 pt-20 -60.91 -22.17 64.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.877 -0.601 . . . . 75.24 109.972 178.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -76.41 -47.73 22.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.833 -0.621 . . . . 75.11 110.164 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.68 -37.99 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.867 -0.606 . . . . 62.35 110.654 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.804 ' HE1' HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -47.39 -39.37 15.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.317 -0.401 . . . . 72.11 110.9 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.776 HG13 ' HB2' ' A' ' 76' ' ' PHE . 93.7 t -58.23 -58.07 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.131 0.491 . . . . 73.42 110.396 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 3.2 t-20 -51.22 -20.74 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.852 -0.613 . . . . 64.34 111.479 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -95.79 -49.48 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.784 0.29 . . . . 74.22 111.784 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.22 -46.35 4.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.333 0.494 . . . . 74.13 112.333 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.776 ' HB2' HG13 ' A' ' 72' ' ' VAL . 48.1 m-85 -96.95 28.84 3.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.322 -0.399 . . . . 73.34 112.024 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.7 tm-20 -66.37 50.02 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.74 -0.663 . . . . 71.23 111.138 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 111.231 -0.748 . . . . 72.21 111.231 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.436 HG23 ' C ' ' A' ' 15' ' ' ALA . 5.9 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.81 0.338 . . . . 75.42 110.988 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.5 pt -82.32 179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.163 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 10.8 t80 -112.19 96.69 6.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.518 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 19.3 t -59.21 150.23 26.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 65.22 110.789 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.567 HG22 HD13 ' A' ' 35' ' ' ILE . 14.3 t -101.51 -22.05 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.334 . . . . 73.23 110.892 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 29.3 t80 -74.16 -47.71 34.06 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.824 -0.435 . . . . 73.04 109.824 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.542 HD21 HE21 ' A' ' 42' ' ' GLN . 3.8 mt -89.02 -17.39 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.664 -0.698 . . . . 73.11 110.891 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 62.5 39.98 11.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 71.4 110.215 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -138.91 -169.63 2.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.769 -0.65 . . . . 73.2 110.109 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.4 tt0 -109.84 113.94 27.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.442 -0.344 . . . . 65.42 110.679 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' C ' HG23 ' A' ' 5' ' ' THR . . . -134.5 168.41 19.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 54.41 111.541 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -55.88 167.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.893 -0.594 . . . . 72.43 111.062 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.32 152.69 17.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.678 -0.772 . . . . 53.22 112.371 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 10.2 mp0 -69.47 161.43 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 62.42 110.89 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -90.89 -34.29 15.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 63.02 110.963 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -139.73 153.26 47.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 75.5 111.144 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.44 ' OE1' ' HG3' ' A' ' 29' ' ' LYS . 10.4 tt0 -68.13 118.77 11.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 75.54 110.948 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.674 HD12 ' NE1' ' A' ' 40' ' ' TRP . 13.5 mt -81.21 -34.03 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 71.53 110.42 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.616 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -98.16 165.23 15.69 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 71.5 109.923 179.185 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 10.9 Cg_endo -94.31 -172.38 0.28 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 123.033 2.489 . . . . 65.33 113.595 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.47 -142.86 1.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.255 -0.884 . . . . 62.31 114.116 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -80.9 -38.4 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.527 -0.337 . . . . 61.3 111.183 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.895 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -50.27 -54.32 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 70.03 110.659 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.801 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -57.85 -31.52 64.61 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.173 -1.013 . . . . 70.33 111.549 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -63.1 -55.57 24.26 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.161 -0.311 . . . . 74.43 110.161 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 12.2 ptp180 -60.46 -40.77 92.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.162 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.895 HD11 HD12 ' A' ' 27' ' ' LEU . 10.1 mt -60.88 -62.99 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-O 121.539 0.685 . . . . 73.55 109.693 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -56.87 -18.36 12.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.844 -1.071 . . . . 75.01 110.703 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.8 m-80 -96.9 -58.85 1.93 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.005 0.742 . . . . 73.34 113.005 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 5.7 mm-40 -94.89 -17.46 22.02 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.01 0.745 . . . . 71.44 113.01 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.567 HD13 HG22 ' A' ' 9' ' ' THR . 22.1 mm -103.26 100.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.185 0.517 . . . . 72.42 111.337 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 m -64.15 172.11 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.592 -0.731 . . . . 70.31 110.768 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -31.03 71.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.313 -0.403 . . . . 71.22 111.045 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HB3' HD11 ' A' ' 11' ' ' LEU . 2.1 tt0 -61.69 -41.0 96.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 72.33 110.785 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -79.82 -43.67 21.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 63.44 111.104 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.696 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.8 t-105 -55.43 -35.51 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.975 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.0 -50.7 69.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 53.14 110.118 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.542 HE21 HD21 ' A' ' 11' ' ' LEU . 9.2 mt-30 -54.88 -36.12 64.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 75.14 110.324 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.721 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 36.7 t-105 -68.92 -58.31 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 55.12 110.699 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.18 -42.56 14.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.304 -0.407 . . . . 74.45 110.751 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -66.5 -31.91 72.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 61.45 110.141 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 4.3 tptp -83.07 -26.54 31.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.99 -0.55 . . . . 74.13 110.207 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' TRP . 4.8 tt0 -66.57 -50.01 64.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.502 . . . . 75.45 110.811 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.4 t -56.74 -43.47 80.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.593 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 6.4 ptp -70.86 -38.54 73.14 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 121.117 -0.233 . . . . 74.2 111.137 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.648 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 31.9 mt -58.4 -42.31 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.0 0.429 . . . . 72.5 110.323 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.746 HG23 ' HB2' ' A' ' 56' ' ' LEU . 85.4 mt -69.94 -36.78 70.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.081 -0.509 . . . . 73.01 111.592 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -73.27 -48.1 37.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.416 -0.356 . . . . 75.53 111.105 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.65 -53.81 14.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.473 -0.33 . . . . 72.53 110.96 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.21 -15.06 61.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.797 0.332 . . . . 71.11 110.854 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 66.5 62.54 0.54 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.284 -0.416 . . . . 74.11 110.961 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.746 ' HB2' HG23 ' A' ' 51' ' ' ILE . 63.6 mt -91.97 -170.45 2.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.505 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.88 101.59 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 70.12 110.79 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.712 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -58.9 -18.31 32.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 34.55 111.462 -179.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtm -79.29 -19.44 50.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 74.53 110.698 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -102.83 118.81 37.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 73.54 110.66 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -55.71 -27.78 52.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 75.0 111.208 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -65.97 -36.67 83.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.41 -0.359 . . . . 72.21 110.792 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -85.45 -42.78 14.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.226 -0.443 . . . . 60.41 110.856 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.545 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.94 -43.11 63.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 71.4 110.556 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -64.48 -24.09 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 61.24 110.317 179.192 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.615 HD22 HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -59.78 -48.66 80.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.236 -0.438 . . . . 65.44 110.379 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.721 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 3.8 mm? -53.92 -47.13 71.51 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.439 -0.578 . . . . 63.34 109.439 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.499 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 6.4 tt0 -55.32 -23.7 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.533 -0.758 . . . . 75.24 110.183 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.44 -50.0 10.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.993 -0.549 . . . . 75.11 110.892 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.19 -32.74 67.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 62.35 111.079 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.546 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -53.44 -48.28 68.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.494 -0.321 . . . . 72.11 110.707 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.814 HG13 ' HB2' ' A' ' 76' ' ' PHE . 93.3 t -52.1 -57.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 73.42 110.639 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -52.92 -19.25 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.18 -0.463 . . . . 64.34 111.112 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.445 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 36.4 t80 -94.78 -52.36 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.637 0.256 . . . . 74.22 111.352 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -102.2 -45.95 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.499 0.555 . . . . 74.13 112.499 -178.642 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.814 ' HB2' HG13 ' A' ' 72' ' ' VAL . 48.6 m-85 -96.43 28.65 3.22 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.577 0.584 . . . . 73.34 112.577 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -66.09 36.54 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 111.892 0.33 . . . . 71.23 111.892 -179.55 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 76' ' ' PHE . . . . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 111.889 -0.484 . . . . 72.21 111.889 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 120.906 0.384 . . . . 74.34 111.436 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.54 35.11 4.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 74.12 112.595 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -132.78 105.39 7.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.788 0.328 . . . . 63.22 110.862 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.29 87.13 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.15 111.041 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.4 HG22 ' HG2' ' A' ' 14' ' ' GLU . 3.5 m -133.88 96.08 3.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.962 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ALA . 23.4 pt -79.6 -176.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 72.21 111.15 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 32.4 t80 -122.27 99.14 6.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.895 -0.593 . . . . 72.41 109.793 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 23.5 t -58.96 148.83 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 65.22 111.205 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.585 HG22 HD13 ' A' ' 35' ' ' ILE . 15.3 t -98.42 -26.47 14.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 73.23 110.674 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -74.62 -42.45 58.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.166 -0.47 . . . . 73.04 110.051 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER -91.44 -18.96 23.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.807 -0.633 . . . . 73.11 110.397 179.248 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 60.49 41.78 15.29 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.112 -0.495 . . . . 71.4 110.279 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.64 -173.13 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.914 -0.585 . . . . 73.2 110.133 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.6 tt0 -104.45 111.94 24.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 65.42 110.848 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . -113.56 179.61 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 54.41 111.095 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.62 -11.24 59.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 72.43 111.456 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.06 174.44 1.9 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.685 -0.769 . . . . 53.22 112.471 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.509 ' HG3' ' HG3' ' A' ' 37' ' ' LYS . 8.7 mp0 -88.6 178.74 6.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 62.42 111.146 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.45 -24.47 7.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 63.02 111.378 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -139.98 138.69 35.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 75.5 111.025 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 30.5 tt0 -61.58 132.02 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.991 -0.55 . . . . 75.54 111.017 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.6 mt -99.51 -42.55 6.88 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.182 -0.463 . . . . 71.53 111.082 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.647 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -88.31 164.67 32.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 109.623 -0.51 . . . . 71.5 109.623 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 25.9 Cg_endo -87.19 -178.86 2.61 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.5 2.133 . . . . 65.33 113.263 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.23 -141.28 1.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.195 -0.912 . . . . 62.31 114.694 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.51 -38.38 34.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.108 -0.546 . . . . 61.3 111.146 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.884 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -47.88 -54.18 13.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 70.03 110.365 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.676 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -58.5 -28.4 62.28 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.258 -0.972 . . . . 70.33 111.699 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -64.91 -58.26 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.558 0.218 . . . . 74.43 110.688 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -55.77 -40.06 72.1 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 116.584 -0.28 . . . . 74.43 111.039 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.884 HD11 HD12 ' A' ' 27' ' ' LEU . 8.9 mt -63.42 -56.8 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.566 0.698 . . . . 73.55 109.432 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -60.08 -18.24 45.51 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.776 -1.102 . . . . 75.01 110.426 178.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.4 m-80 -99.16 -57.91 2.06 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.971 0.73 . . . . 73.34 112.971 -179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.5 mm-40 -94.82 -19.18 20.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.96 0.726 . . . . 71.44 112.96 -177.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.585 HD13 HG22 ' A' ' 9' ' ' THR . 17.4 mm -103.15 97.57 5.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.975 0.417 . . . . 72.42 110.536 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.0 t -61.82 172.01 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 70.31 111.143 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HG3' ' HG3' ' A' ' 18' ' ' GLN . 42.7 mttt -59.45 -37.81 79.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 71.22 110.829 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -46.97 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.844 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.58 88.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.942 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.509 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 20.0 t-105 -62.68 -37.0 84.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 72.4 110.751 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.09 -20.72 66.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 53.14 110.921 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.06 -28.44 29.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 75.14 110.374 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CE2' ' HB2' ' A' ' 71' ' ' MET . 14.2 t-105 -84.87 -52.89 5.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 55.12 110.245 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -45.14 -41.87 8.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.246 -0.433 . . . . 74.45 111.079 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -63.56 -43.52 96.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 61.45 110.452 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.482 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.46 -23.12 50.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.415 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' TRP . 31.8 tt0 -68.75 -55.7 10.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.273 -0.421 . . . . 75.45 111.13 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.2 t -52.47 -39.74 61.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 74.14 111.862 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -78.82 -33.22 46.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.65 0.262 . . . . 74.2 111.053 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 22.5 mt -63.8 -32.68 74.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.976 0.417 . . . . 72.5 110.391 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.019 HD11 HD11 ' A' ' 67' ' ' LEU . 77.3 mt -74.88 -36.04 38.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.975 -0.557 . . . . 73.01 110.904 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -77.95 -35.16 50.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 75.53 111.137 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.89 -54.2 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.458 -0.337 . . . . 72.53 111.171 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' NZ ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.95 -6.63 50.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.345 . . . . 71.11 111.14 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 62.77 59.18 1.45 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.993 0.425 . . . . 74.11 110.581 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.826 HD21 HD22 ' A' ' 66' ' ' LEU . 55.6 mt -87.38 -174.2 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 75.54 110.583 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' HB3' ' HB2' ' A' ' 60' ' ' ASN . 3.9 t30 -160.17 103.14 1.44 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.921 0.391 . . . . 70.12 110.439 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.802 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -60.41 -18.87 53.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.572 . . . . 34.55 111.407 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -25.0 40.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.758 0.313 . . . . 74.53 110.691 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -94.8 137.24 34.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 73.54 110.565 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -70.71 -29.81 66.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 75.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.26 -37.78 88.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 72.21 111.197 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -85.38 -42.85 14.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 60.41 110.738 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 2.3 tpt180 -46.27 -53.27 11.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 71.4 110.721 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -61.66 -27.06 68.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.951 -0.568 . . . . 61.24 110.443 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.826 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -66.37 -45.12 81.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 65.44 110.474 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.019 HD11 HD11 ' A' ' 51' ' ' ILE . 1.7 mt -56.83 -52.27 65.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.078 0.466 . . . . 63.34 109.916 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.7 tm-20 -54.9 -23.76 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.576 -0.738 . . . . 75.24 110.396 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 66' ' ' LEU . 6.7 tm0? -75.36 -46.73 31.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.139 -0.482 . . . . 75.11 110.692 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.93 -51.23 62.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 62.35 111.209 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.52 ' HE1' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -44.68 -44.23 8.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.52 -0.309 . . . . 72.11 111.296 -179.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.798 HG13 ' HB2' ' A' ' 76' ' ' PHE . 58.1 t -53.72 -59.29 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.888 0.375 . . . . 73.42 110.868 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -51.16 -20.73 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 64.34 111.475 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -95.21 -49.26 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.526 -0.306 . . . . 74.22 111.567 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.43 HD12 ' HG3' ' A' ' 71' ' ' MET . 0.2 OUTLIER -103.32 -49.89 3.61 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.517 0.562 . . . . 74.13 112.517 -178.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.798 ' HB2' HG13 ' A' ' 72' ' ' VAL . 61.8 m-85 -93.94 28.53 2.39 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.62 0.6 . . . . 73.34 112.62 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.8 OUTLIER -68.02 59.28 0.07 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.914 -0.585 . . . . 71.23 110.767 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -168.41 -38.33 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.814 -0.63 . . . . 72.21 112.582 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -51.03 4.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.845 0.355 . . . . 73.2 110.873 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 56.24 32.34 20.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.03 111.487 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -85.28 110.97 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 120.913 0.387 . . . . 70.23 111.165 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -119.35 122.14 41.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 72.21 110.723 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.4 mm -128.25 143.91 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 64.22 111.224 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.6 102.6 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 55.3 110.652 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.29 44.31 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.665 -0.779 . . . . 74.03 112.378 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -88.44 123.3 32.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 70.14 110.862 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.7 p -145.9 94.61 4.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.1 110.757 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.68 126.46 22.52 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.491 2.127 . . . . 70.12 112.292 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.7 -41.77 20.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 73.11 110.886 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.7 -40.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 74.42 111.143 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -130.62 168.64 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 51.34 111.184 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.4 tptt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.926 -0.579 . . . . 74.24 110.979 179.779 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.743 0.306 . . . . 74.34 111.319 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.7 80.78 0.25 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.667 -0.778 . . . . 74.12 112.52 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p -152.87 141.21 20.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.347 . . . . 63.22 111.021 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.15 141.2 32.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.066 -0.516 . . . . 75.15 110.687 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.561 HG22 ' H ' ' A' ' 6' ' ' ILE . 1.5 m -108.68 177.27 4.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.735 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.561 ' H ' HG22 ' A' ' 5' ' ' THR . 5.1 pt -145.49 170.36 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.457 -0.338 . . . . 72.21 110.42 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -105.49 95.82 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.416 -0.357 . . . . 72.41 110.243 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 28.8 t -61.93 150.56 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 65.22 110.678 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.602 HG22 HD13 ' A' ' 35' ' ' ILE . 12.7 t -100.63 -22.26 15.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.865 0.364 . . . . 73.23 110.589 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -74.39 -47.36 34.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.985 -0.552 . . . . 73.04 110.092 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.65 -17.18 30.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 73.11 110.362 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 61.04 41.0 14.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.146 0.498 . . . . 71.4 110.312 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -143.79 -170.26 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.475 -0.784 . . . . 73.2 109.693 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 5.9 tt0 -104.83 103.83 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.986 0.422 . . . . 65.42 110.761 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' HG13 ' A' ' 6' ' ' ILE . . . -122.44 165.1 16.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.933 -0.576 . . . . 54.41 110.995 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 -57.41 158.72 5.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.466 -0.334 . . . . 72.43 110.752 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.47 173.98 15.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.762 . . . . 53.22 112.356 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' CE2' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -97.77 152.53 19.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 62.42 110.892 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -99.01 -21.25 16.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 63.02 111.177 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -127.04 126.09 42.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 75.5 111.04 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -60.33 133.18 55.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.703 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mt -92.4 -42.37 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.978 -0.556 . . . . 71.53 110.697 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.657 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -93.78 165.65 17.52 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.685 -0.487 . . . . 71.5 109.685 178.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.645 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 16.7 Cg_endo -92.21 -170.54 0.31 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.868 2.379 . . . . 65.33 112.872 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.46 -143.52 0.59 Allowed Glycine 0 C--N 1.33 0.201 0 CA-C-N 115.479 -0.782 . . . . 62.31 114.446 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -80.33 -37.3 32.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.126 -0.537 . . . . 61.3 111.364 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.985 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -51.5 -52.99 42.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 70.03 110.362 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.883 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -55.85 -32.32 58.99 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.279 -0.962 . . . . 70.33 111.51 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -60.51 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.627 0.251 . . . . 74.43 110.446 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.616 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 1.9 ptp180 -56.74 -39.71 74.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.305 -0.407 . . . . 74.43 111.47 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.985 HD11 HD12 ' A' ' 27' ' ' LEU . 5.5 mt -63.54 -60.8 2.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 121.526 0.679 . . . . 73.55 109.815 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -57.01 -18.29 13.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.03 -0.987 . . . . 75.01 110.617 179.257 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -99.89 -55.3 2.68 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.18 0.807 . . . . 73.34 113.18 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 mm-40 -94.73 -18.12 21.57 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.769 0.655 . . . . 71.44 112.769 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.602 HD13 HG22 ' A' ' 9' ' ' THR . 13.9 mm -103.48 94.14 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.89 0.376 . . . . 72.42 110.766 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.6 p -57.5 170.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.526 . . . . 70.31 111.003 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -60.86 -25.31 66.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 71.22 110.846 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.79 -46.34 75.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 72.33 111.595 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.563 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -71.37 -43.76 66.3 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.822 0.304 . . . . 63.44 111.822 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.591 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 58.1 t-105 -54.52 -41.89 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.736 0.303 . . . . 72.4 111.095 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.41 68.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.362 . . . . 53.14 110.796 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -73.77 -38.07 64.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.404 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 15.9 t-105 -68.24 -50.39 54.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 55.12 110.171 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -46.87 -41.57 15.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.415 . . . . 74.45 110.738 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.415 ' O ' HG22 ' A' ' 48' ' ' THR . 49.0 t60 -65.5 -42.02 92.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.866 -0.606 . . . . 61.45 110.746 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 49' ' ' MET . 6.5 tptt -80.06 -19.73 46.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.697 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' TRP . 9.1 tt0 -69.28 -55.73 9.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.274 -0.421 . . . . 75.45 110.764 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 45' ' ' HIS . 11.6 t -49.5 -42.44 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 74.14 111.8 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -75.51 -35.53 60.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 74.2 110.78 -179.61 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.652 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 19.4 mt -62.84 -27.73 69.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.383 . . . . 72.5 110.296 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.069 HD11 HD11 ' A' ' 67' ' ' LEU . 50.9 mt -84.53 -44.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 73.01 110.846 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -68.28 -35.56 78.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.954 -0.566 . . . . 75.53 111.443 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.39 -49.57 9.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.415 -0.357 . . . . 72.53 111.763 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.652 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -73.93 -9.41 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.677 0.275 . . . . 71.11 110.87 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mttm 64.53 55.38 1.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.978 0.418 . . . . 74.11 110.628 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.97 ' HB2' HG23 ' A' ' 51' ' ' ILE . 44.3 mt -84.04 -171.97 3.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 75.54 110.376 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.12 96.12 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.414 -0.357 . . . . 70.12 110.631 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.863 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.84 -20.22 34.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 34.55 111.32 -179.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.7 mtt -81.3 10.77 5.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.56 -0.291 . . . . 74.53 111.558 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -138.9 128.16 24.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.838 0.351 . . . . 73.54 110.721 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.98 -24.94 63.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.243 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.63 -45.35 87.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 72.21 111.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -85.41 -34.87 21.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.937 0.398 . . . . 60.41 110.556 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -48.26 -48.31 35.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.011 -0.54 . . . . 71.4 110.373 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -66.22 -30.86 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.798 -0.637 . . . . 61.24 110.137 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -49.03 69.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 65.44 110.76 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.069 HD11 HD11 ' A' ' 51' ' ' ILE . 4.4 mt -58.4 -46.09 87.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 63.34 110.401 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.506 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -53.19 -21.79 5.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.79 -0.641 . . . . 75.24 110.495 179.353 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 -52.26 6.86 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.112 -0.494 . . . . 75.11 111.418 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' OE1' HD22 ' A' ' 50' ' ' LEU . 5.6 mt-10 -61.52 -42.05 98.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.462 -0.335 . . . . 62.35 111.175 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.522 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -48.53 -45.57 37.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 72.11 111.17 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.82 HG13 ' HB2' ' A' ' 76' ' ' PHE . 93.3 t -51.29 -57.01 3.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.924 0.392 . . . . 73.42 110.262 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 20.9 t-20 -51.39 -20.68 1.87 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.89 -0.596 . . . . 64.34 111.114 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -95.46 -51.43 4.56 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.407 -0.36 . . . . 74.22 111.937 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.03 -44.72 5.14 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.62 0.6 . . . . 74.13 112.62 -178.353 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.82 ' HB2' HG13 ' A' ' 72' ' ' VAL . 56.2 m-85 -97.43 28.72 3.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.008 0.432 . . . . 73.34 112.127 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' VAL . 73.4 tt0 -67.31 59.29 0.05 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.518 -0.765 . . . . 71.23 111.083 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -168.15 -36.31 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.913 -0.661 . . . . 72.21 112.379 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.72 -54.98 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 73.2 111.042 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 56.38 52.01 10.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 72.03 110.868 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.51 73.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 70.23 111.278 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.493 ' O ' HD13 ' A' ' 83' ' ' ILE . 11.1 m170 -110.68 151.23 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.876 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 82' ' ' HIS . 23.1 mm -126.18 127.29 70.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 64.22 111.095 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.26 125.02 10.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.511 . . . . 55.3 110.565 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.55 13.23 62.82 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.536 -0.84 . . . . 74.03 112.426 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -92.57 137.78 32.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.681 0.276 . . . . 70.14 110.572 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 87' ' ' THR . 5.3 t -136.0 94.7 14.2 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.447 -0.342 . . . . 74.1 111.302 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.81 134.84 24.57 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.453 2.102 . . . . 70.12 112.225 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.15 -34.67 75.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 73.11 110.954 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -168.05 167.08 12.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 74.42 110.772 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -153.31 146.45 24.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 51.34 110.981 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.9 pttm . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.24 111.083 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 120.921 0.391 . . . . 74.34 110.705 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.55 26.48 11.83 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.901 -0.666 . . . . 74.12 112.154 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -133.28 141.9 48.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.724 0.297 . . . . 63.22 110.699 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -61.97 163.66 7.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 75.15 110.724 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -113.81 113.74 25.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.398 . . . . 75.42 110.391 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' CG1' ' O ' ' A' ' 15' ' ' ALA . 30.3 pt -80.47 -176.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.047 0.451 . . . . 72.21 111.594 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 21.5 t80 -117.15 100.36 7.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 72.41 109.802 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 35.4 t -60.82 146.56 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.429 -0.351 . . . . 65.22 110.442 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.618 HG22 HD13 ' A' ' 35' ' ' ILE . 12.1 t -98.84 -23.73 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.662 0.268 . . . . 73.23 110.863 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 55.2 t80 -74.56 -43.91 53.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.997 0.427 . . . . 73.04 110.014 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.0 -16.05 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 73.11 110.624 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 60.75 40.74 15.77 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.033 0.445 . . . . 71.4 110.241 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -142.31 -167.28 2.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 73.2 110.345 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 6.5 tt0 -106.44 123.83 48.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 65.42 110.49 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' O ' ' CG1' ' A' ' 6' ' ' ILE . . . -150.3 164.33 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.373 . . . . 54.41 111.339 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.41 168.39 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 72.43 111.056 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -124.63 152.0 17.4 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.725 -0.75 . . . . 53.22 112.443 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -57.9 179.1 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.805 0.336 . . . . 62.42 111.012 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -116.84 -28.79 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 63.02 111.325 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -136.94 136.45 38.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 75.5 111.187 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 43.0 tt0 -59.33 124.81 21.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.938 -0.573 . . . . 75.54 110.77 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 mt -89.81 -46.47 8.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 71.53 111.162 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.63 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -83.59 169.33 17.66 Favored Pre-proline 0 C--N 1.331 -0.213 0 N-CA-C 109.493 -0.558 . . . . 71.5 109.493 178.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.572 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 13.3 Cg_endo -92.37 179.04 1.36 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.743 2.295 . . . . 65.33 113.119 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.02 -142.71 1.69 Allowed Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.45 -0.796 . . . . 62.31 114.894 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 1.4 tp10 -79.14 -39.68 32.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.915 -0.642 . . . . 61.3 111.564 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.737 ' HG ' ' HG3' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -49.96 -49.72 49.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.974 0.416 . . . . 70.03 110.623 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.707 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -58.9 -33.35 73.27 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.175 -1.012 . . . . 70.33 112.116 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -58.56 -52.54 65.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.691 0.281 . . . . 74.43 111.077 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.723 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.3 ptp180 -59.15 -36.29 74.99 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.598 -0.274 . . . . 74.43 111.149 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.728 HD11 HD12 ' A' ' 27' ' ' LEU . 6.9 mt -66.52 -52.15 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 CA-C-O 121.575 0.703 . . . . 73.55 109.418 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -18.38 64.22 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.862 -1.063 . . . . 75.01 110.034 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -100.64 -52.67 3.27 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.809 1.04 . . . . 73.34 113.809 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.5 mt-10 -98.69 -15.25 19.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.435 0.902 . . . . 71.44 113.435 -177.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.618 HD13 HG22 ' A' ' 9' ' ' THR . 25.0 mm -105.41 105.1 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.016 0.436 . . . . 72.42 111.483 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.6 p -62.91 167.42 4.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.939 -0.573 . . . . 70.31 110.83 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -60.17 -29.21 68.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.045 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -70.62 -44.13 67.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.463 -0.335 . . . . 72.33 111.287 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -66.91 -34.58 78.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.447 -0.342 . . . . 63.44 110.973 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.499 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.8 t-105 -64.38 -32.69 74.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.539 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.42 64.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 53.14 110.951 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.39 -35.54 25.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 75.14 110.106 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.663 ' CB ' HD11 ' A' ' 75' ' ' LEU . 16.9 t-105 -74.6 -52.43 11.81 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.074 -0.512 . . . . 55.12 110.1 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -43.77 -40.34 4.28 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.178 -0.464 . . . . 74.45 110.631 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.566 ' O ' HG22 ' A' ' 48' ' ' THR . 66.8 t60 -64.41 -47.9 77.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.708 -0.678 . . . . 61.45 110.289 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 4.0 tptt -72.38 -25.77 61.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.989 -0.55 . . . . 74.13 110.7 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -66.45 -56.58 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.96 0.41 . . . . 75.45 110.775 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 45' ' ' HIS . 12.9 t -50.24 -39.95 46.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 74.14 111.855 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 4.3 ptm -78.22 -42.67 30.64 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.97 -0.292 . . . . 74.2 110.817 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 23.9 mt -54.84 -26.17 33.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 72.5 110.587 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 67' ' ' LEU . 62.0 mt -84.53 -42.26 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 73.01 110.854 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -73.48 -36.01 65.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.928 -0.578 . . . . 75.53 111.383 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -52.77 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 72.53 111.385 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -77.6 -5.89 51.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.74 0.305 . . . . 71.11 111.019 179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.9 mttt 62.09 62.58 1.19 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.879 0.371 . . . . 74.11 110.716 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.804 ' HB2' HG23 ' A' ' 51' ' ' ILE . 37.6 mt -90.11 -174.28 4.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.984 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -158.36 100.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 70.12 110.635 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.868 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.23 -15.85 49.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.827 -0.624 . . . . 34.55 111.831 -179.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -7.29 58.69 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.077 -0.249 . . . . 74.53 111.113 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.89 130.1 53.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.345 . . . . 73.54 110.718 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -58.69 -30.04 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.383 -0.372 . . . . 75.0 110.943 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -58.46 -45.12 89.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.028 -0.533 . . . . 72.21 111.528 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -85.11 -36.99 20.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 60.41 110.466 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -50.57 -49.2 56.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 71.4 110.724 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -66.63 -24.85 66.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.26 -0.427 . . . . 61.24 110.848 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.432 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -65.24 -50.06 67.29 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.025 -0.361 . . . . 65.44 110.025 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.051 HD11 HD11 ' A' ' 51' ' ' ILE . 4.3 mt -52.87 -43.75 66.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.275 0.56 . . . . 63.34 109.596 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.737 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 3.0 tt0 -53.47 -24.67 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.282 -0.872 . . . . 75.24 110.344 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.88 -45.08 29.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 75.11 110.71 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -67.88 -49.14 63.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 62.35 111.697 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.449 ' HA ' ' CE3' ' A' ' 43' ' ' TRP . 3.3 ptm -43.93 -37.49 2.91 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.546 -0.297 . . . . 72.11 111.538 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.759 HG13 ' HB2' ' A' ' 76' ' ' PHE . 72.5 t -63.59 -61.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 73.42 110.735 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 4.8 t-20 -50.38 -19.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 64.34 111.462 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.468 ' CE1' ' HD3' ' A' ' 46' ' ' LYS . 25.0 t80 -95.2 -50.02 5.23 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.734 0.272 . . . . 74.22 111.734 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.663 HD11 ' CB ' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -102.74 -46.77 4.61 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.506 0.558 . . . . 74.13 112.506 -178.666 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.759 ' HB2' HG13 ' A' ' 72' ' ' VAL . 81.9 m-85 -95.64 28.38 3.04 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 112.287 0.477 . . . . 73.34 112.287 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 23.2 tt0 -65.53 57.56 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.867 -0.606 . . . . 71.23 111.065 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . 161.33 -31.53 0.34 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.782 -0.723 . . . . 72.21 112.627 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -121.52 99.87 6.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.722 0.296 . . . . 73.2 110.565 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.5 ' CD ' HG11 ' A' ' 72' ' ' VAL . 0.6 OUTLIER -178.93 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 72.03 111.346 -179.743 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 81' ' ' VAL . 8.2 p -79.03 54.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.055 -0.521 . . . . 70.23 111.152 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -123.45 161.17 25.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.409 . . . . 72.21 110.946 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 84' ' ' GLU . 15.5 mt -116.3 158.38 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 64.22 110.933 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -147.14 127.26 13.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 55.3 110.928 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.21 37.95 30.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 74.03 112.315 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.437 ' HD2' HG21 ' A' ' 83' ' ' ILE . 1.8 t80 -69.24 126.96 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 70.14 111.087 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.4 p -121.26 89.18 46.43 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 74.1 110.553 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.46 172.3 0.49 Allowed 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.676 2.251 . . . . 70.12 112.476 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -43.49 73.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 73.11 110.656 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -124.46 121.64 35.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.632 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 120.74 2.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 51.34 110.779 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.73 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.827 0.346 . . . . 74.34 111.178 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.8 -43.52 0.06 OUTLIER Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.658 -0.782 . . . . 74.12 112.462 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.26 137.75 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 63.22 110.87 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -93.82 140.54 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 75.15 110.919 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.748 HG22 ' HG2' ' A' ' 14' ' ' GLU . 1.7 m -130.66 107.44 9.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.924 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 22.1 pt -91.39 -179.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 72.21 111.135 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 1.2 t80 -116.12 97.69 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.435 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 36.8 t -63.08 105.57 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 65.22 111.381 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.431 HG22 ' CD1' ' A' ' 35' ' ' ILE . 7.5 t -60.24 -17.59 42.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.353 -0.385 . . . . 73.23 111.432 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -74.52 -53.17 9.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.921 0.391 . . . . 73.04 110.164 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -88.19 -8.99 54.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.008 -0.542 . . . . 73.11 110.696 179.441 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 58.84 41.17 21.91 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.324 -0.398 . . . . 71.4 110.361 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -143.88 174.89 10.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 73.2 110.273 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.748 ' HG2' HG22 ' A' ' 5' ' ' THR . 3.8 tt0 -95.38 117.08 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.946 0.403 . . . . 65.42 111.383 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.38 175.5 5.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.049 -0.523 . . . . 54.41 111.008 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -18.03 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.446 -0.343 . . . . 72.43 111.822 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.32 -167.9 22.21 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.636 -0.792 . . . . 53.22 112.633 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -113.88 179.67 3.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.793 0.33 . . . . 62.42 110.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.07 -22.3 7.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.231 -0.441 . . . . 63.02 111.54 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -128.9 142.98 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 75.5 111.104 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 25.8 tt0 -71.07 122.61 20.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 75.54 110.431 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 22' ' ' LEU . 6.8 mp -86.22 -36.3 19.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 71.53 111.645 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.637 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -97.79 169.25 8.77 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.475 -0.33 . . . . 71.5 110.165 179.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.577 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 15.4 Cg_endo -93.39 -170.1 0.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.019 2.479 . . . . 65.33 112.986 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.02 -143.96 0.22 Allowed Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.352 -0.84 . . . . 62.31 114.522 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 2.2 mt-10 -81.35 -34.76 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.237 -0.481 . . . . 61.3 111.148 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.718 HD23 ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -55.25 -47.63 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.783 0.325 . . . . 70.03 110.296 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.637 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -60.81 -31.29 75.25 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.141 -1.028 . . . . 70.33 111.678 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 16.9 mttm -64.73 -53.77 41.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.297 . . . . 74.43 110.334 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.718 ' HD3' HD23 ' A' ' 27' ' ' LEU . 6.3 ptm180 -58.84 -39.8 82.35 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.29 -0.414 . . . . 74.43 111.315 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.678 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 6.9 mt -65.29 -59.59 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 121.26 0.552 . . . . 73.55 110.075 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -18.56 56.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.528 -0.76 . . . . 75.01 110.714 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -100.57 -45.41 5.53 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.94 0.718 . . . . 73.34 112.94 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 29.6 mt-10 -100.97 -18.24 16.4 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.695 0.628 . . . . 71.44 112.695 -178.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.702 HG23 ' HB3' ' A' ' 39' ' ' ALA . 9.5 mm -109.14 126.66 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.947 0.403 . . . . 72.42 110.814 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.64 174.18 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 70.31 110.76 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -59.08 -34.99 72.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 71.22 110.859 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.588 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.0 tp10 -58.63 -42.49 88.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.037 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.702 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -79.3 -45.53 19.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 63.44 111.179 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.678 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 66.8 t-105 -55.52 -38.53 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 72.4 110.691 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.72 81.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.016 0.436 . . . . 53.14 110.299 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -68.6 -29.74 68.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.798 -0.637 . . . . 75.14 110.278 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.54 ' HB2' HD21 ' A' ' 75' ' ' LEU . 23.0 t-105 -72.69 -50.35 25.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.072 -0.513 . . . . 55.12 110.627 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 9.1 mm100 -44.1 -51.75 7.74 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.996 0.427 . . . . 74.45 110.755 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -60.87 -51.96 67.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.878 -0.601 . . . . 61.45 110.54 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 20.4 tptt -66.2 -19.88 65.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 74.13 111.08 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.511 ' HG3' HD13 ' A' ' 67' ' ' LEU . 31.9 tt0 -77.89 -56.97 4.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.865 0.364 . . . . 75.45 110.917 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -53.82 -35.33 61.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 74.14 111.601 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.6 -37.29 50.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.328 . . . . 74.2 111.303 -179.579 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 19.0 mt -58.0 -33.36 68.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.401 . . . . 72.5 110.742 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.861 HG23 ' HB2' ' A' ' 56' ' ' LEU . 62.4 mt -73.8 -44.07 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.947 -0.57 . . . . 73.01 111.269 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -72.48 -28.53 62.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.209 -0.45 . . . . 75.53 111.028 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.24 -53.8 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 72.53 111.337 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 4.4 mptt -76.16 -2.2 29.92 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.48 -0.327 . . . . 71.11 111.409 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp 63.46 53.5 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 74.11 111.39 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.861 ' HB2' HG23 ' A' ' 51' ' ' ILE . 63.2 mt -88.69 174.88 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.415 -0.357 . . . . 75.54 110.218 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -150.39 105.1 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.963 0.411 . . . . 70.12 110.652 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.714 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -55.95 -22.58 27.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 34.55 111.315 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.0 0.48 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.518 -0.31 . . . . 74.53 111.147 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -119.18 137.07 53.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.304 . . . . 73.54 110.723 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.98 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 75.0 111.415 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -35.15 76.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.422 . . . . 72.21 111.261 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -85.41 -39.58 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 60.41 111.066 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -49.75 -52.06 34.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.142 -0.481 . . . . 71.4 110.761 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -64.2 -29.03 70.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 61.24 110.811 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.767 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -60.79 -46.4 90.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.354 . . . . 65.44 110.8 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.844 HD11 HD11 ' A' ' 51' ' ' ILE . 1.4 mt -59.81 -44.15 94.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.965 0.412 . . . . 63.34 110.248 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 9.7 mt-10 -56.85 -23.47 44.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.95 -0.568 . . . . 75.24 109.841 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -47.53 16.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.586 -0.734 . . . . 75.11 110.584 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.448 ' OE1' HD22 ' A' ' 50' ' ' LEU . 3.2 mm-40 -60.16 -43.08 96.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.959 -0.564 . . . . 62.35 111.204 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.455 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 6.0 ptm -47.85 -35.51 10.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.39 -0.368 . . . . 72.11 111.381 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.825 HG13 ' HB2' ' A' ' 76' ' ' PHE . 98.9 t -63.14 -58.27 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 121.138 0.494 . . . . 73.42 109.845 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 53.2 t30 -49.7 -21.39 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 64.34 111.293 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -95.62 -49.1 5.53 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.422 -0.354 . . . . 74.22 111.875 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.23 -39.7 6.73 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.977 0.732 . . . . 74.13 112.977 -178.38 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.825 ' HB2' HG13 ' A' ' 72' ' ' VAL . 97.0 m-85 -105.9 28.5 7.52 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.089 0.403 . . . . 73.34 112.089 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.2 tt0 -65.84 58.35 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.905 -0.589 . . . . 71.23 111.293 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -175.77 -43.34 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.68 -0.771 . . . . 72.21 113.051 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.466 ' HB3' HG23 ' A' ' 81' ' ' VAL . 5.4 mmtt -73.65 -40.85 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 73.2 111.013 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 55.1 44.57 27.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 72.03 111.371 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.466 HG23 ' HB3' ' A' ' 79' ' ' LYS . 3.3 t -91.27 30.57 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 116.286 -0.415 . . . . 70.23 111.233 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.748 ' CD2' HG11 ' A' ' 72' ' ' VAL . 9.4 p80 -114.75 84.48 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.372 -0.376 . . . . 72.21 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.8 mt -94.03 132.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 64.22 111.135 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -133.97 173.14 11.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 55.3 110.756 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.15 -6.83 78.02 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.674 -0.774 . . . . 74.03 112.557 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.9 127.55 32.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.359 . . . . 70.14 110.81 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 t -134.07 84.37 42.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 74.1 110.828 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -84.54 15.77 2.11 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.777 2.318 . . . . 70.12 112.922 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -78.21 -28.45 48.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.829 0.347 . . . . 73.11 110.975 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.91 150.72 51.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 74.42 110.894 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -91.03 69.06 6.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 51.34 110.819 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.101 -0.499 . . . . 74.24 111.059 -179.794 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 120.855 0.359 . . . . 74.34 111.299 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.22 -26.03 0.48 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 74.12 112.51 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -115.18 113.14 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.947 0.403 . . . . 63.22 110.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -96.4 160.59 14.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.747 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 m -109.18 119.34 39.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 75.42 110.72 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.4 pt -80.86 -179.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 72.21 111.04 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.494 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 3.6 t80 -116.21 100.3 7.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.27 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 18.2 t -62.28 146.15 51.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 65.22 110.738 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.56 HG22 HD13 ' A' ' 35' ' ' ILE . 14.5 t -96.36 -22.22 17.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.455 -0.338 . . . . 73.23 110.633 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 37.0 t80 -74.56 -45.57 44.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 73.04 110.187 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.4 -13.47 32.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 73.11 110.619 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 58.63 42.48 20.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.043 0.449 . . . . 71.4 110.193 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -143.7 -173.28 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.868 -0.606 . . . . 73.2 110.383 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 1.9 tt0 -103.15 115.76 31.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.4 -0.364 . . . . 65.42 110.712 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.05 171.61 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 54.41 111.34 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.63 -177.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.484 . . . . 72.43 110.632 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.03 -176.65 14.5 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.759 . . . . 53.22 112.496 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.28 155.88 17.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.388 . . . . 62.42 111.063 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.93 -26.85 28.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 63.02 111.546 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -150.26 143.95 25.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.39 . . . . 75.5 111.346 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 38.6 tt0 -60.43 120.69 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 75.54 110.672 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.9 mt -84.0 -43.83 14.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 71.53 111.147 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.66 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -88.49 165.16 29.51 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.44 -0.345 . . . . 71.5 110.09 179.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.66 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.8 Cg_endo -92.03 -172.88 0.44 Allowed 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.847 2.364 . . . . 65.33 113.11 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.29 -142.97 0.61 Allowed Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.163 -0.926 . . . . 62.31 114.452 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 1.4 tt0 -81.16 -34.38 32.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.21 -0.495 . . . . 61.3 111.71 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.997 HD12 HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -54.1 -50.72 66.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.994 0.426 . . . . 70.03 110.068 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.69 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -57.41 -34.46 68.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.528 -0.844 . . . . 70.33 111.911 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 6.0 mtpm? -62.08 -56.48 18.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.726 0.298 . . . . 74.43 110.698 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 11.7 ptp180 -57.53 -40.01 77.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.288 -0.414 . . . . 74.43 111.265 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.997 HD11 HD12 ' A' ' 27' ' ' LEU . 7.7 mt -64.31 -61.13 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-O 121.438 0.637 . . . . 73.55 109.957 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -18.25 10.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.211 -0.904 . . . . 75.01 110.783 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -99.59 -53.91 3.07 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.056 0.761 . . . . 73.34 113.056 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.9 mm-40 -94.33 -19.51 20.59 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.449 0.537 . . . . 71.44 112.449 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.56 HD13 HG22 ' A' ' 9' ' ' THR . 16.7 mm -103.23 97.19 5.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.845 0.355 . . . . 72.42 110.594 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.7 p -57.93 174.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.99 -0.55 . . . . 70.31 111.006 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -62.85 -35.38 79.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 71.22 110.882 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -41.42 89.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 72.33 111.261 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.96 -37.25 78.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.367 . . . . 63.44 111.013 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.633 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 24.5 t-105 -65.02 -41.34 95.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.038 -0.528 . . . . 72.4 110.749 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.88 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 53.14 111.044 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -83.4 -27.11 29.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.591 . . . . 75.14 110.607 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.666 ' CB ' HD11 ' A' ' 75' ' ' LEU . 17.7 t-105 -84.16 -46.92 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 55.12 110.578 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 10.6 mm-40 -47.64 -42.02 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.99 0.424 . . . . 74.45 110.872 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -66.58 -50.11 64.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.984 -0.553 . . . . 61.45 110.325 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 5.3 tptt -69.97 -19.57 63.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.269 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.778 ' CG ' HD21 ' A' ' 67' ' ' LEU . 2.7 tt0 -78.07 -59.93 2.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.416 . . . . 75.45 111.209 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 t -47.93 -30.11 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 74.14 112.064 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.5 -35.77 53.27 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 121.07 -0.252 . . . . 74.2 111.234 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 81.4 mt -65.97 -42.3 90.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 72.5 110.212 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.862 HG23 ' HB2' ' A' ' 56' ' ' LEU . 37.6 mt -62.39 -42.53 95.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.234 -0.439 . . . . 73.01 110.638 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -74.89 -36.83 62.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 75.53 111.005 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.54 -54.3 6.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 72.53 111.208 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.63 -9.93 59.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 71.11 110.808 179.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt 63.18 64.46 0.84 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.275 -0.42 . . . . 74.11 111.289 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.054 HD21 HD22 ' A' ' 66' ' ' LEU . 67.0 mt -88.77 -170.26 2.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.39 . . . . 75.54 110.154 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.09 97.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 70.12 110.967 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.655 ' CE ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.48 -19.93 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 34.55 111.451 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -86.03 13.68 7.3 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.574 0.226 . . . . 74.53 111.41 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.32 125.65 17.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.711 0.291 . . . . 73.54 110.585 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.31 -35.55 72.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 75.0 111.305 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -44.78 65.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.231 -0.44 . . . . 72.21 111.163 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -85.08 -39.26 18.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.21 -0.45 . . . . 60.41 110.817 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -48.8 -46.17 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.924 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -65.05 -30.81 71.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 61.24 110.616 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.054 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -54.49 -43.1 71.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.298 -0.41 . . . . 65.44 110.494 179.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.778 HD21 ' CG ' ' A' ' 47' ' ' GLN . 1.7 tp -59.5 -43.91 93.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 63.34 109.912 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 3.7 tm-20 -59.55 -20.73 57.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.887 -0.597 . . . . 75.24 110.324 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -80.56 -54.99 5.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.995 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.52 -45.96 84.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 62.35 111.396 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.535 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -45.05 -48.37 11.79 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.899 0.333 . . . . 72.11 111.899 -179.228 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.746 HG13 ' HB2' ' A' ' 76' ' ' PHE . 99.2 t -50.99 -57.98 2.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.955 0.407 . . . . 73.42 110.411 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -21.88 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.854 -0.612 . . . . 64.34 110.963 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.416 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 7.5 t80 -95.0 -52.72 4.1 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.242 0.46 . . . . 74.22 112.242 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 ' CB ' ' A' ' 43' ' ' TRP . 1.5 mt -101.17 -48.61 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.708 0.633 . . . . 74.13 112.708 -178.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.746 ' HB2' HG13 ' A' ' 72' ' ' VAL . 63.3 m-85 -92.04 27.04 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.252 0.464 . . . . 73.34 112.252 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.5 tt0 -68.18 58.59 0.08 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 120.985 0.422 . . . . 71.23 110.435 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . 164.11 -64.69 0.24 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.822 -0.704 . . . . 72.21 112.779 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.46 85.5 7.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 73.2 111.2 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 76' ' ' PHE . 1.5 pp20? -178.81 -35.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 72.03 110.897 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 81' ' ' VAL . 6.4 p -69.67 68.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.769 -0.651 . . . . 70.23 110.801 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.96 163.36 12.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 72.21 111.11 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.5 mm -129.96 114.18 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 64.22 110.896 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -83.79 108.38 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 55.3 110.792 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.92 -33.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 74.03 112.526 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -91.92 158.83 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 70.14 110.984 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.89 115.88 65.84 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 74.1 110.584 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -68.91 127.25 14.98 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.564 2.176 . . . . 70.12 112.564 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.0 -35.36 23.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.11 110.735 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t0 60.66 83.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 74.42 110.94 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 62.47 166.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 51.34 110.959 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.3 mttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.914 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.864 0.364 . . . . 74.34 111.093 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.81 48.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 74.12 112.524 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -144.12 111.02 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 63.22 110.893 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 tpt85 -106.24 108.33 19.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.15 111.128 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -102.89 115.42 30.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.58 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.6 pt -80.48 -175.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 72.21 111.025 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 31.0 t80 -118.72 97.03 5.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.654 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 17.3 t -59.07 144.16 46.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 65.22 110.27 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.592 HG22 HD13 ' A' ' 35' ' ' ILE . 14.5 t -97.58 -21.44 17.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.061 0.457 . . . . 73.23 110.641 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -74.24 -45.42 48.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.974 -0.557 . . . . 73.04 109.805 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.22 -16.61 32.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.841 -0.618 . . . . 73.11 110.63 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 61.77 40.56 12.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 71.4 110.164 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.31 -172.03 3.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 73.2 110.434 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 12.1 tt0 -103.64 116.13 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 65.42 110.627 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.38 167.27 22.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 54.41 111.247 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -66.46 165.37 14.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 72.43 110.741 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.25 -168.84 12.82 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.706 -0.759 . . . . 53.22 112.447 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.79 176.96 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 62.42 110.921 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.7 -26.88 7.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 63.02 111.328 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -123.52 130.91 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 75.5 111.145 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 49.9 tt0 -61.22 118.67 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 75.54 110.448 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.1 mt -80.82 -44.09 19.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 71.53 111.771 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.618 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.29 169.5 12.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 71.5 110.487 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 17.5 Cg_endo -92.3 -172.78 0.42 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.043 2.495 . . . . 65.33 113.053 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.17 -142.78 0.2 Allowed Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.257 -0.883 . . . . 62.31 114.51 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -81.35 -36.47 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.352 -0.424 . . . . 61.3 111.265 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.795 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -49.71 -52.52 30.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.404 . . . . 70.03 110.401 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.729 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -59.0 -34.25 78.07 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.505 -0.855 . . . . 70.33 112.073 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -54.87 35.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.605 0.24 . . . . 74.43 110.792 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.72 -39.33 80.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.561 -0.29 . . . . 74.43 111.254 -179.816 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.795 HD11 HD12 ' A' ' 27' ' ' LEU . 11.0 mt -63.87 -61.52 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 CA-C-O 121.457 0.646 . . . . 73.55 109.923 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -55.7 -18.19 7.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.965 -1.016 . . . . 75.01 110.172 179.049 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -98.31 -53.43 3.35 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.28 0.844 . . . . 73.34 113.28 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 1.2 mt-10 -94.47 -17.82 22.08 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.057 0.762 . . . . 71.44 113.057 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.592 HD13 HG22 ' A' ' 9' ' ' THR . 19.3 mm -104.4 125.55 59.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.895 0.379 . . . . 72.42 110.749 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 p -82.22 179.41 7.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 70.31 111.055 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -68.15 -30.97 70.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.887 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.21 -41.02 77.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 72.33 110.974 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.54 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -74.06 -38.29 63.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 63.44 111.192 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.743 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 61.0 t-105 -63.29 -39.0 93.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 72.4 110.873 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.58 -25.02 67.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 53.14 110.898 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -78.88 -37.31 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.068 -0.515 . . . . 75.14 110.576 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.543 ' CZ2' HD22 ' A' ' 67' ' ' LEU . 24.6 t-105 -69.66 -49.08 57.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 55.12 110.366 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -44.52 -40.69 5.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.083 0.468 . . . . 74.45 110.656 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -69.38 -49.41 55.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 61.45 110.33 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 2.1 tptm -70.64 -19.48 62.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 74.13 110.774 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' TRP . 2.5 tt0 -75.23 -56.81 4.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.244 -0.435 . . . . 75.45 111.122 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.5 t -56.14 -32.55 64.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 74.14 111.941 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -76.68 -33.11 58.27 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.026 -0.269 . . . . 74.2 110.738 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 36.7 mt -60.84 -54.17 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.939 -0.393 . . . . 72.5 109.939 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.097 HD11 HD11 ' A' ' 67' ' ' LEU . 2.8 mt -56.31 -33.05 36.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 73.01 110.654 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -65.96 -54.66 23.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.052 -0.522 . . . . 75.53 111.092 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.12 -54.35 6.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 72.53 111.513 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -64.42 -14.75 58.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.562 -0.29 . . . . 71.11 111.14 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 63.98 62.13 0.9 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.039 0.447 . . . . 74.11 110.516 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.678 HD12 HG13 ' A' ' 51' ' ' ILE . 67.7 mt -95.42 -173.47 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.876 -0.602 . . . . 75.54 110.528 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -160.34 101.28 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 70.12 110.954 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.58 ' HE1' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -63.12 -12.44 27.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 34.55 111.377 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -30.04 40.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 74.53 110.519 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -96.05 146.45 24.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 73.54 110.758 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.77 -34.88 67.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 75.0 111.416 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -54.09 -42.25 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 72.21 111.181 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -85.68 -38.65 18.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 60.41 111.016 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -48.45 -49.35 35.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 71.4 110.926 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -25.03 64.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 61.24 110.703 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -42.34 88.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.796 0.331 . . . . 65.44 110.275 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.097 HD11 HD11 ' A' ' 51' ' ' ILE . 5.6 mt -58.52 -35.27 72.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 63.34 110.058 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' HA ' ' SD ' ' A' ' 71' ' ' MET . 58.7 mt-10 -58.74 -20.37 48.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 75.24 110.246 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -81.01 -51.04 8.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.88 -0.6 . . . . 75.11 111.607 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.05 -48.1 72.17 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.102 0.408 . . . . 62.35 112.102 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.491 ' SD ' ' HA ' ' A' ' 68' ' ' GLU . 4.3 ptm -46.05 -30.7 1.96 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.588 0.233 . . . . 72.11 111.507 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.873 HG13 ' HB2' ' A' ' 76' ' ' PHE . 99.0 t -65.55 -58.74 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 73.42 110.238 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -50.33 -20.28 1.04 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.01 -0.541 . . . . 64.34 111.289 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -95.4 -50.49 4.98 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.37 -0.377 . . . . 74.22 111.879 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -103.08 -45.46 4.93 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.219 0.452 . . . . 74.13 112.219 -178.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.873 ' HB2' HG13 ' A' ' 72' ' ' VAL . 37.4 m-85 -96.69 28.32 3.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.94 0.348 . . . . 73.34 111.94 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -68.1 60.76 0.08 Allowed 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.86 -0.609 . . . . 71.23 110.842 -179.444 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -165.97 -34.76 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.537 -0.756 . . . . 72.21 111.985 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -56.75 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 73.2 110.852 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 54.45 71.67 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.985 0.421 . . . . 72.03 110.401 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.581 ' O ' HG12 ' A' ' 81' ' ' VAL . 12.9 t -86.5 28.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.014 -0.539 . . . . 70.23 111.942 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.667 ' HE1' HG21 ' A' ' 72' ' ' VAL . 37.2 m80 -114.59 94.23 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 72.21 110.838 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.406 HD12 ' H ' ' A' ' 83' ' ' ILE . 3.5 mp -82.45 138.97 18.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.01 -0.541 . . . . 64.22 111.223 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -125.66 160.28 30.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 55.3 110.863 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.77 43.11 98.2 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 74.03 112.431 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -89.22 114.29 25.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 70.14 110.882 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.19 105.83 57.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.9 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.09 117.8 5.27 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.505 2.137 . . . . 70.12 112.351 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.47 -41.39 96.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.32 -0.4 . . . . 73.11 110.655 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -123.95 164.32 19.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 74.42 110.555 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -150.73 99.09 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 51.34 111.091 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 74.24 110.657 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 120.822 0.344 . . . . 74.34 111.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.08 141.98 3.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.812 -0.709 . . . . 74.12 112.458 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.45 147.14 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 63.22 110.792 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.88 158.63 17.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.927 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.739 HG22 ' HG2' ' A' ' 14' ' ' GLU . 6.8 m -134.35 108.13 8.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 75.42 110.727 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 22.7 pt -83.56 -177.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 72.21 111.341 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.415 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 13.1 t80 -121.11 96.44 5.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 72.41 110.483 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 32.9 t -59.0 148.65 29.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.94 -0.573 . . . . 65.22 110.818 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.556 HG22 HD13 ' A' ' 35' ' ' ILE . 14.9 t -100.03 -21.65 15.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 73.23 110.915 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 48.7 t80 -74.27 -46.54 40.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.224 -0.444 . . . . 73.04 109.911 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 38' ' ' GLU . 2.0 mt -92.8 -13.48 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 73.11 110.686 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 58.62 41.92 21.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.012 0.434 . . . . 71.4 110.552 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -140.89 -179.8 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.975 -0.557 . . . . 73.2 110.129 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.739 ' HG2' HG22 ' A' ' 5' ' ' THR . 5.6 tt0 -99.57 110.48 22.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.74 0.305 . . . . 65.42 110.844 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.627 ' HB3' ' OG ' ' A' ' 36' ' ' SER . . . -109.94 177.63 4.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 54.41 111.297 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -33.66 72.38 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.23 0.538 . . . . 72.43 110.569 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.63 161.08 36.31 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.298 -0.864 . . . . 53.22 112.676 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -73.47 174.73 7.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.789 0.328 . . . . 62.42 110.814 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.04 -28.35 8.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 63.02 111.176 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' ' 22' ' ' LEU . 21.7 p90 -146.82 148.45 31.9 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.363 -0.38 . . . . 75.5 111.189 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.91 119.57 9.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 75.54 110.827 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD12 ' NE1' ' A' ' 40' ' ' TRP . 27.7 mt -87.32 -40.58 14.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 71.53 111.056 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.635 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -88.31 165.06 30.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.876 -0.416 . . . . 71.5 109.876 179.224 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.497 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 19.3 Cg_endo -90.46 -170.51 0.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.702 2.268 . . . . 65.33 112.562 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 39.31 -144.08 0.34 Allowed Glycine 0 N--CA 1.454 -0.162 0 CA-C-N 115.558 -0.746 . . . . 62.31 114.473 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.29 -33.94 32.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.337 -0.432 . . . . 61.3 111.363 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.763 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -53.63 -49.68 67.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.353 -0.385 . . . . 70.03 110.738 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.712 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -60.32 -31.78 74.9 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.294 -0.955 . . . . 70.33 111.694 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -51.34 67.71 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.12 -0.232 . . . . 74.43 110.748 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -65.04 -41.49 95.15 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.58 -0.282 . . . . 74.43 111.624 -179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.763 HD11 HD12 ' A' ' 27' ' ' LEU . 9.1 mt -59.62 -62.98 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.498 0.666 . . . . 73.55 109.791 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.36 -18.39 2.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.106 -0.952 . . . . 75.01 110.3 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -94.56 -55.11 3.26 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.852 0.686 . . . . 73.34 112.852 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.1 mm-40 -96.8 -17.87 19.95 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.179 0.807 . . . . 71.44 113.179 -177.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.556 HD13 HG22 ' A' ' 9' ' ' THR . 14.8 mm -103.89 96.3 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.935 0.398 . . . . 72.42 111.022 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.627 ' OG ' ' HB3' ' A' ' 15' ' ' ALA . 69.1 m -59.55 169.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 70.31 111.0 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -60.47 -34.76 74.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.064 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -61.64 -48.49 80.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.33 111.051 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.71 -36.51 80.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.97 0.414 . . . . 63.44 110.682 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.616 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 50.3 t-105 -61.96 -39.77 93.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 72.4 110.603 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.69 67.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 53.14 110.982 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -82.36 -30.72 30.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.14 109.967 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 13.1 t-105 -73.35 -49.01 29.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.998 -0.546 . . . . 55.12 109.845 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -49.49 -36.29 22.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.944 -0.571 . . . . 74.45 110.559 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -68.01 -40.1 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.775 -0.648 . . . . 61.45 110.5 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 49' ' ' MET . 11.4 tptt -83.21 -19.83 35.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 74.13 110.708 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' TRP . 1.7 tt0 -75.3 -51.93 12.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 75.45 110.831 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 t -56.49 -33.32 65.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.996 -0.547 . . . . 74.14 111.942 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.451 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -81.19 -37.9 27.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.684 0.278 . . . . 74.2 111.325 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.514 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 26.6 mt -60.1 -35.07 74.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.941 0.401 . . . . 72.5 110.503 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.93 HG21 ' HE1' ' A' ' 58' ' ' MET . 67.2 mt -74.25 -47.77 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 73.01 110.95 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -69.4 -29.27 66.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.093 -0.503 . . . . 75.53 111.232 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -84.14 -54.02 5.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.485 -0.325 . . . . 72.53 111.082 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.63 -6.6 54.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.51 -0.314 . . . . 71.11 110.771 179.657 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.12 59.18 1.69 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.353 -0.385 . . . . 74.11 111.091 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.871 ' HB2' HG23 ' A' ' 51' ' ' ILE . 28.1 mt -82.53 -171.99 3.79 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.347 -0.388 . . . . 75.54 110.415 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -156.53 98.74 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.798 0.332 . . . . 70.12 110.793 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.93 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.8 -14.89 50.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 34.55 111.861 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.6 -24.43 42.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 74.53 110.522 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -105.62 128.38 53.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.52 . . . . 73.54 110.641 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.36 -27.95 67.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 75.0 111.284 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -55.35 -44.65 76.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 72.21 110.74 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -85.4 -34.92 21.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 60.41 110.514 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -52.54 -49.21 65.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 71.4 110.253 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -30.62 71.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.857 -0.61 . . . . 61.24 110.508 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -62.05 -44.76 95.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.403 179.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.896 HD11 HD11 ' A' ' 51' ' ' ILE . 2.2 mt -57.51 -41.31 80.54 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.99 0.424 . . . . 63.34 110.123 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.459 ' CG ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -54.98 -22.16 14.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 75.24 110.357 179.233 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 66' ' ' LEU . 42.1 tp60 -79.92 -49.58 11.69 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.069 -0.514 . . . . 75.11 111.089 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.1 -41.36 98.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.52 . . . . 62.35 111.619 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.42 ' SD ' ' CE2' ' A' ' 23' ' ' TYR . 5.7 ptm -55.29 -32.19 62.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.562 0.22 . . . . 72.11 111.065 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.824 HG13 ' HB2' ' A' ' 76' ' ' PHE . 58.4 t -66.19 -62.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.977 0.418 . . . . 73.42 110.494 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.461 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.3 t30 -50.98 -18.98 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 64.34 111.162 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.43 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 14.9 t80 -95.27 -51.52 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.536 -0.302 . . . . 74.22 111.399 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -103.34 -45.6 4.83 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.859 0.688 . . . . 74.13 112.859 -178.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.824 ' HB2' HG13 ' A' ' 72' ' ' VAL . 34.8 m-85 -95.89 28.3 3.17 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.051 0.389 . . . . 73.34 112.051 -178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -68.78 57.92 0.09 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.101 -0.5 . . . . 71.23 111.226 -179.369 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.65 -21.02 0.71 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.583 -0.818 . . . . 72.21 112.769 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.67 22.3 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.95 0.405 . . . . 73.2 110.38 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.518 ' CD ' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -174.53 61.65 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.923 -0.58 . . . . 72.03 110.011 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.5 t -86.88 66.85 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.813 -0.63 . . . . 70.23 110.91 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.49 ' CE1' ' CG ' ' A' ' 84' ' ' GLU . 3.8 p80 -118.92 161.2 20.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.981 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 mt -88.31 128.49 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 64.22 111.326 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.49 ' CG ' ' CE1' ' A' ' 82' ' ' HIS . 30.8 mm-40 -135.54 124.45 24.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 55.3 110.648 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.29 50.73 1.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.605 -0.807 . . . . 74.03 112.234 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.489 ' O ' ' HD3' ' A' ' 88' ' ' PRO . 12.7 p90 -102.09 127.26 49.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.671 0.272 . . . . 70.14 110.76 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.7 p -74.3 107.18 3.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.1 111.067 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 86' ' ' TYR . 56.9 Cg_endo -69.94 74.21 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.377 2.052 . . . . 70.12 112.418 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -73.1 -45.97 54.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.015 0.436 . . . . 73.11 110.555 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 92' ' ' LYS . 2.2 t70 69.69 -73.1 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.827 -0.624 . . . . 74.42 111.046 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 71.71 -33.94 0.28 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.458 -0.337 . . . . 51.34 111.479 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.141 0 CA-C-O 120.842 0.353 . . . . 74.24 110.978 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 120.764 0.316 . . . . 74.34 111.446 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.26 -162.96 20.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.463 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.94 119.12 33.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.788 0.327 . . . . 63.22 110.872 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -110.43 117.54 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 75.15 110.906 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.465 HG22 ' HG2' ' A' ' 14' ' ' GLU . 2.0 m -128.96 110.19 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.612 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 pt -85.65 -176.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 72.21 111.462 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 7.3 t80 -123.48 99.99 6.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.685 -0.689 . . . . 72.41 109.657 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.0 t -60.56 147.89 39.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.373 -0.376 . . . . 65.22 110.979 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.504 HG22 HD13 ' A' ' 35' ' ' ILE . 14.7 t -97.0 -26.22 15.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.674 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -74.43 -40.67 61.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.144 0.497 . . . . 73.04 109.778 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 38' ' ' GLU . 7.1 mt -93.16 -18.9 22.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.587 -0.733 . . . . 73.11 110.516 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 59.2 41.93 19.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.349 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.48 -175.74 4.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.81 -0.632 . . . . 73.2 110.119 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 5' ' ' THR . 8.3 tt0 -105.04 115.26 29.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 65.42 110.909 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.64 -177.6 3.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.474 . . . . 54.41 111.169 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.99 -15.91 57.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 72.43 111.471 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.66 172.5 1.21 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.795 -0.716 . . . . 53.22 112.764 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -76.51 -178.59 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 62.42 110.859 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -121.31 -25.41 5.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 63.02 111.58 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 2.3 p90 -143.6 146.44 33.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.354 . . . . 75.5 111.085 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -72.13 125.25 26.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 75.54 111.118 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 20' ' ' PHE . 1.3 mt -102.38 -36.87 8.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 71.53 111.032 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.757 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -85.99 169.32 15.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 71.5 110.764 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.757 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 4.2 Cg_endo -44.61 -173.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.764 2.976 . . . . 65.33 113.779 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.62 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.518 0.262 0 N-CA-C 115.609 1.004 . . . . 62.31 115.609 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.81 -55.59 33.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.004 0.742 . . . . 61.3 113.004 -177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.781 HD13 ' CE ' ' A' ' 71' ' ' MET . 4.5 mt -61.03 -55.7 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.582 -0.447 . . . . 70.03 111.346 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.717 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -53.92 -23.32 22.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.988 -1.101 . . . . 70.33 112.632 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -52.79 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.615 0.245 . . . . 74.43 110.586 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.72 ' HE ' HD23 ' A' ' 27' ' ' LEU . 5.1 ptp180 -61.04 -36.89 80.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.492 -0.322 . . . . 74.43 110.971 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.717 HD12 ' HA2' ' A' ' 28' ' ' GLY . 4.4 mt -68.39 -47.61 76.76 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 CA-C-O 121.486 0.66 . . . . 73.55 109.764 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.512 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -69.11 -18.65 64.0 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.217 -0.901 . . . . 75.01 110.38 179.181 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -100.79 -48.08 4.6 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.125 0.787 . . . . 73.34 113.125 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 39.3 mm-40 -97.76 -20.04 17.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.991 0.737 . . . . 71.44 112.991 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.604 HG23 ' HB3' ' A' ' 39' ' ' ALA . 16.9 mm -106.59 128.29 61.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.091 0.472 . . . . 72.42 111.131 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.7 p -87.6 179.66 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.757 -0.656 . . . . 70.31 110.375 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -68.3 -28.82 67.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.865 0.364 . . . . 71.22 110.82 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' A' ' 11' ' ' LEU . 2.3 tt0 -63.82 -46.67 84.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.204 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.604 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -73.17 -41.12 64.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.412 -0.358 . . . . 63.44 111.208 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.708 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 67.0 t-105 -60.77 -32.92 72.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.4 . . . . 72.4 110.699 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.48 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 53.14 110.752 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -73.52 -37.6 65.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.131 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' O ' ' N ' ' A' ' 47' ' ' GLN . 21.6 t-105 -67.83 -49.06 64.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.772 -0.649 . . . . 55.12 110.525 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -48.69 -44.83 38.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 74.45 111.29 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -66.53 -38.68 87.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.959 0.409 . . . . 61.45 110.433 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 49' ' ' MET . 1.6 tppt? -80.98 -19.3 44.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.01 -0.541 . . . . 74.13 110.654 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' TRP . 23.0 tt0 -74.73 -50.0 19.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.307 -0.406 . . . . 75.45 111.124 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.6 t -55.28 -36.94 66.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 74.14 111.928 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.553 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -73.83 -33.15 64.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.615 0.245 . . . . 74.2 111.294 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 83.8 mt -63.95 -41.56 97.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.971 0.415 . . . . 72.5 110.462 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.893 HD11 HD11 ' A' ' 67' ' ' LEU . 73.8 mt -65.6 -42.68 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.076 -0.511 . . . . 73.01 111.075 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -74.24 -28.91 61.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.165 -0.471 . . . . 75.53 111.11 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -84.9 -54.38 4.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.305 -0.407 . . . . 72.53 111.002 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -76.93 -7.61 55.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 71.11 110.827 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt 62.94 63.07 0.98 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.976 0.417 . . . . 74.11 110.872 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.82 ' HB2' HG23 ' A' ' 51' ' ' ILE . 40.1 mt -89.39 -172.18 3.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.009 -0.541 . . . . 75.54 110.645 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -158.53 104.8 1.82 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.417 . . . . 70.12 110.774 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.855 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -61.07 -19.18 61.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 34.55 111.39 -179.543 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -21.71 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 74.53 110.707 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -98.25 134.04 41.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.737 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.15 -24.39 63.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 75.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -36.38 80.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 72.21 111.197 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' A' ' 57' ' ' ASN . 50.7 m170 -85.47 -39.87 17.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 60.41 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -46.65 62.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.011 0.434 . . . . 71.4 110.242 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -70.79 -19.28 62.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.806 -0.634 . . . . 61.24 110.701 179.297 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.81 -38.69 53.47 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.626 -0.509 . . . . 65.44 109.626 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.893 HD11 HD11 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -64.23 -51.61 62.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.647 -0.706 . . . . 63.34 109.892 179.103 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' HB2' ' HE2' ' A' ' 71' ' ' MET . 9.7 pt-20 -54.19 -23.73 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.73 -0.668 . . . . 75.24 110.15 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -47.41 45.89 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.808 -0.633 . . . . 75.11 110.293 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -63.78 -46.36 85.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.889 -0.596 . . . . 62.35 110.472 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.781 ' CE ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -46.98 -37.03 8.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.763 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 76' ' ' PHE . 89.8 t -58.92 -59.49 3.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.21 0.528 . . . . 73.42 110.262 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 7.5 t30 -52.01 -19.82 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.613 -0.721 . . . . 64.34 111.453 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.471 ' CE1' ' HE2' ' A' ' 46' ' ' LYS . 41.5 t80 -95.17 -48.88 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.572 -0.285 . . . . 74.22 111.745 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -103.53 -45.99 4.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.651 0.611 . . . . 74.13 112.651 -178.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.771 ' HB2' HG13 ' A' ' 72' ' ' VAL . 47.3 m-85 -99.75 28.52 4.67 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 112.504 0.557 . . . . 73.34 112.504 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.3 tt0 -66.17 55.45 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.933 -0.576 . . . . 71.23 110.988 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . 174.43 -51.29 0.14 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.261 -0.971 . . . . 72.21 114.052 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' C ' ' HG2' ' A' ' 80' ' ' GLU . 11.1 mmtm -79.06 20.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.086 0.443 . . . . 73.2 111.687 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG3' HG13 ' A' ' 72' ' ' VAL . 1.6 mm-40 -140.1 -42.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.211 0.529 . . . . 72.03 110.645 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 81' ' ' VAL . 7.1 p -78.62 108.44 12.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.382 -0.826 . . . . 70.23 111.338 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -123.05 146.0 48.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.824 -0.625 . . . . 72.21 110.126 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.9 mp -104.69 111.79 35.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 64.22 111.558 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.71 115.66 13.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 55.3 110.712 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.7 -8.03 15.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.643 -0.789 . . . . 74.03 112.83 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.91 140.81 49.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.788 0.327 . . . . 70.14 110.718 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.4 p -121.44 78.56 36.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.1 111.148 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.6 -21.33 5.18 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.562 2.175 . . . . 70.12 112.258 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.95 -61.02 2.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 73.11 111.031 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.15 163.1 12.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.42 111.121 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -129.56 166.92 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 51.34 110.818 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.344 -0.389 . . . . 74.24 110.69 179.733 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.826 0.346 . . . . 74.34 111.187 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.98 121.68 0.6 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.634 -0.793 . . . . 74.12 112.67 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -161.04 136.3 7.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.34 . . . . 63.22 110.763 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 8.3 ttm105 -103.48 82.32 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 75.15 111.17 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.631 HG22 ' HG2' ' A' ' 14' ' ' GLU . 3.9 m -126.68 112.03 14.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 75.42 110.398 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 pt -81.83 -174.77 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.061 0.458 . . . . 72.21 111.391 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -126.28 102.85 7.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.68 -0.691 . . . . 72.41 109.713 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.688 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 22.9 t -63.46 150.99 42.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.442 -0.344 . . . . 65.22 111.167 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.485 HG22 HD13 ' A' ' 35' ' ' ILE . 15.3 t -100.77 -25.27 14.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.355 -0.384 . . . . 73.23 110.684 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CZ ' ' CE2' ' A' ' 74' ' ' PHE . 40.7 t80 -74.08 -46.16 44.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 73.04 109.897 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.455 HD21 HE21 ' A' ' 42' ' ' GLN . 1.2 mt -90.19 -19.17 24.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.771 -0.65 . . . . 73.11 110.443 178.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 61.82 40.91 12.29 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.129 -0.487 . . . . 71.4 110.362 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -137.36 -172.79 3.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.916 -0.584 . . . . 73.2 110.606 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.631 ' HG2' HG22 ' A' ' 5' ' ' THR . 6.6 tt0 -107.86 118.15 35.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 65.42 110.486 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.67 169.88 11.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 54.41 111.474 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -12.64 61.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.94 -0.573 . . . . 72.43 111.43 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.33 161.71 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 53.22 112.505 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -76.19 -178.58 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 62.42 110.867 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -117.59 -25.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 63.02 111.416 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -137.13 141.14 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.442 -0.345 . . . . 75.5 111.128 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 32' ' ' TYR . 19.6 tt0 -58.96 111.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 75.54 110.763 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.0 mt -73.41 -40.88 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 71.53 111.02 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.758 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -96.32 167.41 12.4 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 71.5 110.205 179.587 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.758 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 20.8 Cg_endo -91.5 -169.96 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.944 2.43 . . . . 65.33 112.694 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.41 -143.0 0.21 Allowed Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.409 -0.814 . . . . 62.31 114.723 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -44.72 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.199 -0.5 . . . . 61.3 111.882 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.731 HD23 ' HD2' ' A' ' 30' ' ' ARG . 2.7 mt -49.21 -46.35 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 70.03 110.384 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.687 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -60.02 -34.48 83.71 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.62 -0.8 . . . . 70.33 111.875 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -55.36 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.882 0.372 . . . . 74.43 110.213 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.731 ' HD2' HD23 ' A' ' 27' ' ' LEU . 2.2 ptp180 -57.27 -42.3 81.35 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.86 -0.609 . . . . 74.43 111.573 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.687 HD12 ' HA2' ' A' ' 28' ' ' GLY . 5.8 mt -62.63 -58.19 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 121.436 0.636 . . . . 73.55 109.588 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.457 ' HB2' ' HA ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -60.1 -18.28 45.96 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.073 -0.967 . . . . 75.01 110.566 178.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -97.4 -56.24 2.59 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.777 0.658 . . . . 73.34 112.777 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.688 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.1 mm-40 -94.51 -20.84 19.3 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.533 0.568 . . . . 71.44 112.533 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.485 HD13 HG22 ' A' ' 9' ' ' THR . 20.5 mm -102.28 135.56 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.885 0.374 . . . . 72.42 110.756 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -100.95 175.5 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 70.31 111.183 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -59.22 -40.85 87.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 71.22 110.768 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.25 -44.89 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 72.33 110.731 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -70.98 -37.41 72.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 63.44 111.014 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 34.7 t-105 -64.63 -37.05 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 72.4 111.003 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.65 -19.59 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 53.14 110.923 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.455 HE21 HD21 ' A' ' 11' ' ' LEU . 8.5 mt-30 -83.33 -27.72 29.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.337 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' A' ' 75' ' ' LEU . 24.4 t-105 -81.87 -52.19 7.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.133 -0.485 . . . . 55.12 109.995 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -48.6 -42.64 34.58 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.065 -0.516 . . . . 74.45 110.756 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -65.28 -29.59 70.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 61.45 110.143 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' ' 49' ' ' MET . 5.8 tptm -86.44 -21.21 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 74.13 110.536 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.592 ' HG3' HD21 ' A' ' 67' ' ' LEU . 1.9 tt0 -68.7 -47.33 66.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 75.45 110.406 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.8 t -57.74 -44.75 86.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 74.14 111.665 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 3.9 ptp -72.09 -42.22 66.39 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 111.733 0.271 . . . . 74.2 111.733 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 59.5 mt -57.9 -44.54 86.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 72.5 110.614 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.761 HG21 ' HE1' ' A' ' 58' ' ' MET . 90.1 mt -66.47 -38.94 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.114 -0.494 . . . . 73.01 110.964 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -76.54 -30.9 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 75.53 111.297 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -85.57 -54.29 4.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.605 -0.271 . . . . 72.53 110.903 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -74.95 -8.85 57.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.472 -0.331 . . . . 71.11 110.6 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 62.77 63.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.409 . . . . 74.11 110.838 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.642 ' HB2' HG23 ' A' ' 51' ' ' ILE . 72.9 mt -91.29 -174.93 4.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 75.54 110.429 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -152.28 106.16 3.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.402 . . . . 70.12 110.984 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.761 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.11 -20.96 28.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 34.55 111.22 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -21.13 35.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.535 -0.302 . . . . 74.53 110.812 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -96.38 130.1 43.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 73.54 110.801 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.25 95.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 75.0 111.37 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -36.51 66.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 72.21 110.991 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 27.0 m170 -85.3 -36.73 20.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.035 -0.529 . . . . 60.41 110.729 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.562 ' HA ' HH11 ' A' ' 64' ' ' ARG . 0.0 OUTLIER -57.26 -45.51 83.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.021 0.439 . . . . 71.4 110.098 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -73.72 -17.81 61.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.795 -0.639 . . . . 61.24 110.474 179.275 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.482 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -72.6 -39.47 67.29 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.458 -0.571 . . . . 65.44 109.458 178.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD21 ' HG3' ' A' ' 47' ' ' GLN . 0.8 OUTLIER -64.33 -52.06 60.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 63.34 109.813 179.118 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.63 ' HB2' HD13 ' A' ' 27' ' ' LEU . 7.2 pt-20 -55.92 -24.36 37.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.764 -0.653 . . . . 75.24 110.093 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -70.59 -43.83 68.59 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.76 -0.655 . . . . 75.11 110.539 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.91 -39.07 66.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.028 -0.533 . . . . 62.35 110.654 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.617 ' HE1' ' HB2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -50.46 -37.11 36.66 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.336 -0.393 . . . . 72.11 110.885 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.803 HG13 ' HB2' ' A' ' 76' ' ' PHE . 84.2 t -61.35 -60.84 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.174 0 CA-C-O 121.036 0.446 . . . . 73.42 110.167 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 2.0 t-20 -50.41 -19.06 0.75 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 64.34 111.003 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CE2' ' CZ ' ' A' ' 10' ' ' PHE . 24.4 t80 -95.02 -50.43 5.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 74.22 111.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.24 -48.57 3.97 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.392 0.516 . . . . 74.13 112.392 -178.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.803 ' HB2' HG13 ' A' ' 72' ' ' VAL . 41.3 m-85 -93.91 28.66 2.33 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.941 0.4 . . . . 73.34 112.068 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 20.7 tt0 -66.94 60.25 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.729 -0.668 . . . . 71.23 110.804 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -169.17 -35.89 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.66 -0.781 . . . . 72.21 112.772 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -22.65 28.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.661 0.267 . . . . 73.2 111.386 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 64.36 85.58 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.42 -0.354 . . . . 72.03 111.167 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.635 ' HB ' HG21 ' A' ' 72' ' ' VAL . 20.9 t -96.96 96.7 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.266 -0.425 . . . . 70.23 111.025 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -88.59 175.83 7.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.27 -0.423 . . . . 72.21 111.09 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mp -86.72 146.42 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 64.22 110.921 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -109.01 102.6 11.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 55.3 111.198 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.92 86.36 0.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.764 -0.731 . . . . 74.03 113.031 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -88.33 153.24 21.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.68 0.276 . . . . 70.14 110.612 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.37 102.48 5.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 74.1 111.159 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.74 -13.49 26.96 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.486 2.124 . . . . 70.12 112.527 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -51.24 14.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.826 0.346 . . . . 73.11 110.91 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.09 175.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.42 111.031 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -113.61 -69.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.522 . . . . 51.34 110.969 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.314 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.603 0.24 . . . . 74.34 111.323 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.28 119.75 1.15 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.591 -0.814 . . . . 74.12 112.828 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.59 154.27 44.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 63.22 110.771 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.77 81.55 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 75.15 110.825 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.647 HG22 ' HG2' ' A' ' 14' ' ' GLU . 16.2 m -133.14 108.01 8.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 75.42 110.733 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.1 pt -84.3 -176.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 72.21 111.192 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -121.74 98.96 6.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 72.41 109.991 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.7 t -60.82 148.4 39.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 65.22 110.842 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.573 HG22 ' CD1' ' A' ' 35' ' ' ILE . 14.6 t -98.04 -25.15 15.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 73.23 110.765 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -74.26 -43.99 54.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.034 0.445 . . . . 73.04 109.827 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 mt -89.67 -21.52 22.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.756 -0.656 . . . . 73.11 110.423 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 62.84 40.66 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 71.4 110.364 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.83 -177.28 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.893 -0.594 . . . . 73.2 110.175 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.647 ' HG2' HG22 ' A' ' 5' ' ' THR . 3.8 tt0 -100.37 110.48 22.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.812 0.339 . . . . 65.42 110.665 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.82 170.87 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 54.41 111.509 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -63.59 -27.55 69.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.026 -0.534 . . . . 72.43 111.163 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.94 161.22 6.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.899 -0.667 . . . . 53.22 112.674 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.895 ' OE1' HD13 ' A' ' 22' ' ' LEU . 76.6 mt-30 -64.54 -179.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 62.42 110.994 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.39 -28.04 6.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 63.02 110.804 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -146.33 153.05 40.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 75.5 110.747 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 48.2 tt0 -62.27 124.33 20.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.236 -0.438 . . . . 75.54 111.044 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.895 HD13 ' OE1' ' A' ' 18' ' ' GLN . 10.6 mp -92.45 -41.11 10.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.53 111.022 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.648 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -93.04 167.75 13.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 71.5 110.04 179.473 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.545 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.9 Cg_endo -90.93 -172.06 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.69 2.26 . . . . 65.33 112.798 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.47 -142.92 0.96 Allowed Glycine 0 N--CA 1.453 -0.229 0 CA-C-N 115.433 -0.803 . . . . 62.31 114.374 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.28 -35.63 30.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.245 -0.478 . . . . 61.3 111.38 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.847 HD12 HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -53.88 -49.45 68.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.038 -0.528 . . . . 70.03 110.858 -179.598 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.781 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -61.54 -32.51 81.52 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.13 -1.033 . . . . 70.33 111.657 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 42.9 mttt -66.11 -43.38 87.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.686 0.279 . . . . 74.43 110.323 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.732 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.7 ptp180 -69.9 -39.81 76.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.42 -0.355 . . . . 74.43 111.161 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.847 HD11 HD12 ' A' ' 27' ' ' LEU . 6.6 mt -62.82 -52.92 53.54 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 121.592 0.71 . . . . 73.55 109.761 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -17.99 58.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.848 -1.069 . . . . 75.01 110.218 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 1.6 m-80 -97.19 -50.72 4.47 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.554 0.576 . . . . 73.34 112.554 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.1 mm-40 -98.94 -15.42 19.14 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.987 0.736 . . . . 71.44 112.987 -177.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.573 ' CD1' HG22 ' A' ' 9' ' ' THR . 19.4 mm -112.11 106.58 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.844 0.354 . . . . 72.42 111.373 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 t -68.54 176.82 2.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 70.31 110.71 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -66.15 -29.3 69.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 71.22 111.077 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.96 -44.37 76.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 72.33 111.116 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.58 -35.01 67.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.43 -0.35 . . . . 63.44 111.15 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.641 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.5 t-105 -63.45 -33.88 76.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.35 -0.386 . . . . 72.4 110.754 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.4 -27.12 68.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 53.14 110.798 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -78.46 -33.85 48.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.114 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.787 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 31.4 t-105 -75.66 -51.93 11.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 55.12 110.244 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -48.91 -36.7 17.84 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.13 0.49 . . . . 74.45 110.249 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -70.25 -29.69 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.672 -0.695 . . . . 61.45 110.336 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -85.56 -25.91 26.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.236 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' HA ' HD11 ' A' ' 67' ' ' LEU . 4.7 tt0 -68.53 -48.15 65.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.0 -0.545 . . . . 75.45 110.406 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.0 t -54.01 -45.44 71.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 74.14 111.286 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.3 ptp -72.09 -41.96 66.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.67 0.271 . . . . 74.2 110.748 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 27.2 mt -57.59 -30.15 65.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.358 . . . . 72.5 110.368 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.721 HG21 ' HE1' ' A' ' 58' ' ' MET . 96.2 mt -84.85 -39.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 73.01 111.148 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -73.66 -31.84 63.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.499 . . . . 75.53 111.46 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.01 -54.35 4.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.594 -0.276 . . . . 72.53 111.407 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.15 -8.74 55.56 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.725 0.297 . . . . 71.11 110.932 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt 67.72 58.81 0.49 Allowed 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.863 0.363 . . . . 74.11 110.938 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.667 ' HB2' HG23 ' A' ' 51' ' ' ILE . 77.2 mt -96.45 -172.31 2.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 75.54 110.367 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -156.48 122.18 4.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.866 0.365 . . . . 70.12 110.634 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.721 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -70.32 -13.17 62.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 34.55 111.461 -179.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -26.68 24.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 74.53 110.435 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -90.27 112.45 24.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 73.54 110.685 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.25 -29.26 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 75.0 111.325 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' OE2' ' HE2' ' A' ' 92' ' ' LYS . 6.7 tp10 -63.67 -37.17 86.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 72.21 110.846 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -85.22 -34.56 21.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 60.41 110.798 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -53.21 -45.89 68.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.838 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -28.06 66.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 61.24 110.849 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.535 HD22 HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -54.56 -46.73 73.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.743 0.306 . . . . 65.44 110.226 179.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.787 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 3.7 mm? -58.5 -47.46 84.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.38 -0.6 . . . . 63.34 109.38 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.685 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 2.5 tt0 -52.08 -23.51 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.304 -0.862 . . . . 75.24 110.211 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -81.21 -50.42 9.6 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.619 -0.718 . . . . 75.11 111.33 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.86 -30.85 62.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.822 0.344 . . . . 62.35 110.84 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.534 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -51.17 -50.31 59.23 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.264 -0.426 . . . . 72.11 111.117 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.797 HG13 ' HB2' ' A' ' 76' ' ' PHE . 65.0 t -50.97 -57.99 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 73.42 110.312 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -51.96 -21.29 2.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 64.34 111.107 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -94.83 -51.27 4.76 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.996 0.369 . . . . 74.22 111.996 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.684 HD11 ' CB ' ' A' ' 43' ' ' TRP . 1.5 mt -103.13 -46.27 4.68 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.425 0.528 . . . . 74.13 112.425 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.797 ' HB2' HG13 ' A' ' 72' ' ' VAL . 87.2 m-85 -95.49 28.18 3.06 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.48 0.548 . . . . 73.34 112.48 -178.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' VAL . 14.6 tt0 -68.25 58.41 0.08 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.028 0.442 . . . . 71.23 110.413 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -170.44 -41.64 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.843 -0.617 . . . . 72.21 112.298 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.32 -39.28 40.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.851 0.358 . . . . 73.2 110.638 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 59.44 79.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 72.03 110.855 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.456 HG21 ' HD3' ' A' ' 30' ' ' ARG . 5.3 t -85.73 119.22 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.167 -0.47 . . . . 70.23 111.193 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -115.0 131.34 56.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.387 -0.369 . . . . 72.21 110.909 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mp -84.0 146.56 6.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.19 -0.459 . . . . 64.22 110.82 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -134.02 94.54 3.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.341 -0.39 . . . . 55.3 111.116 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.35 49.71 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 74.03 112.784 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -86.44 123.66 31.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 70.14 110.854 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 t -128.7 84.5 62.94 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 74.1 110.977 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -79.2 151.76 23.61 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.778 2.319 . . . . 70.12 112.314 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.01 -34.85 29.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.485 . . . . 73.11 111.006 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.2 134.16 36.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 74.42 110.985 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -76.76 106.49 8.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.237 -0.438 . . . . 51.34 110.424 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.454 ' HE2' ' OE2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.24 111.618 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.782 0.325 . . . . 74.34 111.225 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.61 158.13 8.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 74.12 112.473 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.12 148.28 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 63.22 111.071 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.69 135.3 47.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.07 -0.514 . . . . 75.15 110.696 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.402 HG22 ' HG2' ' A' ' 14' ' ' GLU . 2.2 m -114.86 123.11 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.134 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 pt -82.71 -176.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 72.21 111.047 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -121.28 99.55 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.877 -0.601 . . . . 72.41 109.864 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 1.4 p -59.0 142.71 50.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 65.22 110.606 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.553 HG22 HD13 ' A' ' 35' ' ' ILE . 9.2 t -98.28 -24.18 15.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.445 -0.343 . . . . 73.23 111.178 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -74.48 -41.79 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.727 -0.471 . . . . 73.04 109.727 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.88 -11.35 28.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.825 -0.625 . . . . 73.11 110.843 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 56.19 44.5 24.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.984 0.421 . . . . 71.4 110.195 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -142.02 -169.02 2.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 73.2 110.728 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HG2' HG22 ' A' ' 5' ' ' THR . 11.7 tt0 -106.31 116.63 32.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 65.42 110.87 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.88 161.12 22.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.379 . . . . 54.41 111.156 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.25 -16.46 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.27 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.98 176.76 8.23 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.672 -0.775 . . . . 53.22 112.603 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -91.0 169.56 10.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 62.42 110.883 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -102.49 -31.39 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 63.02 111.079 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -134.75 144.77 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 75.5 110.958 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 33.4 tt0 -61.42 133.46 55.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.399 -0.364 . . . . 75.54 110.853 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -95.6 -41.63 8.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 71.53 111.411 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.62 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -95.1 169.21 9.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 71.5 110.404 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.548 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 12.0 Cg_endo -94.58 -168.02 0.15 Allowed 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.969 2.446 . . . . 65.33 112.886 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 39.75 -145.14 0.33 Allowed Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.393 -0.821 . . . . 62.31 114.515 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -81.26 -34.55 32.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.148 -0.526 . . . . 61.3 111.396 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.769 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -58.46 -46.94 85.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 70.03 110.375 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.622 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -59.49 -28.63 65.22 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.021 -1.085 . . . . 70.33 111.741 178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -70.3 -39.71 74.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.669 0.271 . . . . 74.43 110.778 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.769 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 5.0 ptm85 -72.56 -38.28 67.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.509 -0.314 . . . . 74.43 111.192 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.622 HD12 ' HA2' ' A' ' 28' ' ' GLY . 5.2 mt -64.07 -52.76 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.477 0.656 . . . . 73.55 109.903 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -18.12 58.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.005 -0.998 . . . . 75.01 110.333 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -99.91 -53.35 3.19 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.962 0.727 . . . . 73.34 112.962 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 13.9 mt-10 -94.48 -20.23 19.86 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.741 0.645 . . . . 71.44 112.741 -177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.553 HD13 HG22 ' A' ' 9' ' ' THR . 23.6 mm -104.31 126.43 59.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.948 0.404 . . . . 72.42 110.739 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.2 p -91.83 176.97 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.913 -0.585 . . . . 70.31 110.868 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -61.58 -36.02 79.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.905 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -61.25 -45.23 95.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.992 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -71.26 -50.68 30.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 63.44 111.003 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.495 ' HZ3' ' HE2' ' A' ' 71' ' ' MET . 51.2 t-105 -53.01 -43.91 66.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.575 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.56 -29.12 61.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 53.14 110.769 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 5.3 mt-30 -77.82 -29.29 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 75.14 110.23 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' CZ2' HD22 ' A' ' 67' ' ' LEU . 28.8 t-105 -75.66 -47.94 24.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.857 -0.61 . . . . 55.12 110.57 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 9.1 mm100 -46.88 -46.41 21.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.937 0.398 . . . . 74.45 110.756 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.502 ' O ' HG22 ' A' ' 48' ' ' THR . 53.9 t60 -61.78 -52.39 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.926 -0.579 . . . . 61.45 110.592 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 10.3 tptp -68.88 -20.48 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.13 111.027 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' TRP . 1.4 tt0 -74.37 -54.49 7.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.893 0.377 . . . . 75.45 111.216 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 45' ' ' HIS . 13.3 t -54.04 -33.18 56.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 74.14 111.957 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -81.07 -40.18 24.56 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.073 -0.251 . . . . 74.2 111.273 -179.55 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 41.5 mt -55.75 -43.35 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 72.5 110.383 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.052 HD11 HD11 ' A' ' 67' ' ' LEU . 18.7 mt -67.33 -38.26 80.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.966 -0.561 . . . . 73.01 110.797 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -73.25 -32.57 64.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.077 -0.51 . . . . 75.53 111.032 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.17 -54.35 4.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.423 -0.353 . . . . 72.53 111.201 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -73.77 -10.44 59.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.722 0.296 . . . . 71.11 111.004 179.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? 68.07 60.42 0.42 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.893 0.377 . . . . 74.11 110.854 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.671 ' HB2' HG23 ' A' ' 51' ' ' ILE . 53.0 mt -92.21 178.41 5.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.246 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -155.65 102.68 2.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.983 0.421 . . . . 70.12 110.881 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.711 ' HE1' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -58.74 -18.74 34.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.783 -0.644 . . . . 34.55 111.49 -179.739 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -21.49 44.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 74.53 110.662 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.4 120.23 40.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.292 -0.413 . . . . 73.54 110.579 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.97 -23.94 55.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.0 111.498 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.62 -40.34 95.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 72.21 110.995 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.432 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 42.8 m170 -85.52 -35.72 20.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.144 -0.48 . . . . 60.41 110.787 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.2 OUTLIER -50.17 -46.64 54.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 71.4 110.625 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -66.41 -22.49 66.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.845 -0.616 . . . . 61.24 110.771 179.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -42.66 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 65.44 109.919 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.052 HD11 HD11 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -60.36 -50.03 75.23 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.017 -0.538 . . . . 63.34 109.812 179.125 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.712 ' HB2' HD13 ' A' ' 27' ' ' LEU . 8.6 pt-20 -55.22 -23.49 22.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.692 -0.685 . . . . 75.24 110.391 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -46.68 31.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.861 -0.609 . . . . 75.11 110.645 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.7 -41.83 87.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.897 -0.592 . . . . 62.35 111.086 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.495 ' HE2' ' HZ3' ' A' ' 40' ' ' TRP . 4.0 ptm -47.32 -35.4 7.96 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.42 -0.354 . . . . 72.11 110.962 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.829 HG13 ' HB2' ' A' ' 76' ' ' PHE . 99.9 t -64.39 -59.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.993 0.425 . . . . 73.42 110.27 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 77' ' ' GLU . 1.2 t30 -51.09 -19.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 64.34 111.296 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -95.19 -49.66 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.273 . . . . 74.22 111.567 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -103.57 -43.41 5.38 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.913 0.709 . . . . 74.13 112.913 -178.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.829 ' HB2' HG13 ' A' ' 72' ' ' VAL . 74.9 m-85 -101.45 27.83 5.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.859 0.689 . . . . 73.34 112.859 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -68.97 58.54 0.1 Allowed 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 116.442 -0.345 . . . . 71.23 110.858 -179.758 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . 153.9 -19.44 0.66 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.471 -0.871 . . . . 72.21 113.556 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.52 28.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.104 0.452 . . . . 73.2 111.447 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -178.86 38.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 72.03 110.619 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.2 p -68.73 64.57 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 116.151 -0.477 . . . . 70.23 111.203 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -113.52 142.9 45.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 72.21 110.782 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -136.74 119.93 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 64.22 111.076 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -112.19 153.36 27.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 55.3 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.47 20.91 74.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.68 -0.771 . . . . 74.03 112.696 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -102.86 141.09 36.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.341 . . . . 70.14 110.959 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 87' ' ' THR . 8.6 t -129.55 114.39 18.1 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.1 110.741 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.73 123.03 11.89 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.343 2.029 . . . . 70.12 112.195 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 pm0 -83.64 -29.98 27.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.297 -0.41 . . . . 73.11 110.903 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -166.09 82.43 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.677 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -58.78 -176.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 51.34 111.012 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 74.24 111.03 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 mtp . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.772 0.32 . . . . 74.34 111.272 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.33 127.68 1.48 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.727 -0.749 . . . . 74.12 112.457 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.19 108.85 11.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 63.22 111.072 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.8 ttt85 -63.96 150.11 45.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 75.15 110.555 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 6' ' ' ILE . 2.0 m -132.18 170.64 14.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.865 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.466 ' H ' HG22 ' A' ' 5' ' ' THR . 9.5 pt -139.62 176.12 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 72.21 110.616 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -110.39 98.89 8.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.266 -0.425 . . . . 72.41 110.091 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 36.2 t -65.42 144.06 57.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 65.22 110.873 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.566 HG22 HD13 ' A' ' 35' ' ' ILE . 14.9 t -97.15 -21.12 17.51 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.725 0.298 . . . . 73.23 111.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -74.29 -46.26 42.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.976 0.417 . . . . 73.04 110.023 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.606 HD12 ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -90.43 -15.02 31.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 73.11 110.692 179.071 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 60.73 42.05 14.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.017 0.437 . . . . 71.4 109.848 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.24 -173.75 4.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.689 . . . . 73.2 110.129 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.17 115.81 31.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 65.42 110.847 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.98 164.07 28.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.06 -0.518 . . . . 54.41 110.923 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.26 158.58 16.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 72.43 110.756 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.23 167.64 12.77 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.726 -0.75 . . . . 53.22 112.451 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.92 149.62 30.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 62.42 110.809 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.04 -27.45 43.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 63.02 111.445 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -141.33 138.85 33.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.793 0.33 . . . . 75.5 111.349 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 51.2 tt0 -59.53 121.26 11.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.486 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.727 HD23 ' HE1' ' A' ' 40' ' ' TRP . 5.3 mp -83.11 -41.9 18.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 71.53 111.857 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.628 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -90.66 169.17 12.39 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.658 0.266 . . . . 71.5 110.451 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 14.4 Cg_endo -92.98 -172.99 0.37 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.893 2.395 . . . . 65.33 112.929 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 37.3 -144.81 0.13 Allowed Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.196 -0.911 . . . . 62.31 114.595 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.29 -37.16 53.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.22 -0.49 . . . . 61.3 111.395 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.854 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -51.19 -52.95 39.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 70.03 110.805 -179.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.661 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -57.72 -33.87 68.92 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.162 -1.018 . . . . 70.33 111.762 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -63.35 -52.83 60.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.52 0.2 . . . . 74.43 110.603 179.272 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.734 ' HD2' HD13 ' A' ' 27' ' ' LEU . 10.6 ptp180 -59.99 -40.83 90.51 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.609 -0.269 . . . . 74.43 110.871 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.854 HD11 HD12 ' A' ' 27' ' ' LEU . 8.0 mt -64.6 -59.66 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.276 0.56 . . . . 73.55 110.154 179.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -54.96 -18.34 4.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.409 -0.814 . . . . 75.01 110.366 178.745 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 28.8 m-20 -100.1 -48.48 4.62 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.152 0.797 . . . . 73.34 113.152 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.619 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 1.2 mm-40 -98.41 -23.5 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.746 0.647 . . . . 71.44 112.746 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.566 HD13 HG22 ' A' ' 9' ' ' THR . 18.9 mm -104.46 98.97 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 72.42 111.022 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.5 p -58.81 173.67 0.41 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.137 -0.483 . . . . 70.31 111.007 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -61.19 -35.51 77.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 71.22 110.677 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.76 -48.66 78.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 72.33 110.817 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -69.3 -31.88 70.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 63.44 110.578 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.727 ' HE1' HD23 ' A' ' 22' ' ' LEU . 52.2 t-105 -69.95 -38.38 76.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.543 . . . . 72.4 110.322 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.9 -28.46 70.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 53.14 110.535 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -74.88 -28.94 60.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 75.14 109.954 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 27.5 t-105 -77.55 -52.05 9.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 55.12 110.581 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.28 -40.72 17.44 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.961 0.41 . . . . 74.45 110.49 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 48' ' ' THR . 37.6 t60 -66.46 -39.4 88.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.824 -0.626 . . . . 61.45 110.061 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -78.28 -20.37 51.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.989 -0.551 . . . . 74.13 110.393 179.419 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.665 ' CG ' HD21 ' A' ' 67' ' ' LEU . 22.4 tt0 -72.1 -48.29 44.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 75.45 110.276 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 45' ' ' HIS . 5.6 t -55.61 -38.52 69.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.017 -0.538 . . . . 74.14 111.584 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -79.37 -37.1 38.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.81 0.338 . . . . 74.2 110.37 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.597 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 44.9 mt -64.33 -33.37 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 72.5 110.233 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.811 HG23 ' HB2' ' A' ' 56' ' ' LEU . 73.3 mt -80.91 -39.63 17.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 73.01 110.759 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -74.95 -30.36 61.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 75.53 111.091 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -86.19 -54.32 4.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.588 -0.278 . . . . 72.53 111.532 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -72.34 -8.08 52.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.595 0.236 . . . . 71.11 111.089 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 13.3 mmtp 65.62 61.09 0.69 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.805 0.336 . . . . 74.11 111.404 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.853 HD21 HD22 ' A' ' 66' ' ' LEU . 77.5 mt -93.45 -179.02 4.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.493 -0.321 . . . . 75.54 110.231 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -151.13 105.5 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 70.12 110.986 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.6 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -53.59 -23.71 11.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 34.55 111.413 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -20.24 46.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.519 -0.309 . . . . 74.53 111.259 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.53 118.15 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.811 0.339 . . . . 73.54 110.719 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.24 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 75.0 110.879 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -54.29 -39.12 66.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 72.21 111.149 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -85.13 -41.33 15.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 60.41 110.404 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -43.75 61.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.589 . . . . 71.4 110.349 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HE3' ' HA ' ' A' ' 62' ' ' GLU . 4.8 pttt -64.29 -31.21 72.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 61.24 110.088 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.853 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -59.6 -46.79 87.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.001 -0.545 . . . . 65.44 110.168 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -58.14 -42.0 84.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 63.34 109.839 179.131 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.499 ' HA ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -63.3 -20.05 65.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 75.24 109.868 178.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -79.32 -47.51 15.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.935 -0.575 . . . . 75.11 110.718 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -73.08 -38.43 66.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 62.35 111.23 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.499 ' SD ' ' HA ' ' A' ' 68' ' ' GLU . 3.1 ptm -49.09 -39.73 29.17 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.587 -0.279 . . . . 72.11 111.216 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.85 HG13 ' HB2' ' A' ' 76' ' ' PHE . 68.9 t -62.87 -57.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.957 0.408 . . . . 73.42 110.585 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.46 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -52.83 -18.63 1.99 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.549 . . . . 64.34 111.486 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -95.25 -49.55 5.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.697 0.284 . . . . 74.22 111.59 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.68 -44.85 4.97 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.988 0.736 . . . . 74.13 112.988 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.85 ' HB2' HG13 ' A' ' 72' ' ' VAL . 44.7 m-85 -100.1 28.58 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.784 0.661 . . . . 73.34 112.784 -178.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 4.9 tt0 -66.35 60.01 0.04 OUTLIER 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.081 0.467 . . . . 71.23 111.019 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -170.58 -39.62 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.765 -0.652 . . . . 72.21 112.216 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -32.54 45.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 73.2 110.575 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 57.48 88.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.018 -0.537 . . . . 72.03 110.834 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.04 54.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 70.23 110.906 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.59 179.39 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 72.21 110.713 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 84' ' ' GLU . 9.5 mm -86.92 160.1 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.255 -0.43 . . . . 64.22 110.932 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 83' ' ' ILE . 22.5 tt0 -158.69 115.39 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 55.3 110.923 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.14 32.11 3.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 74.03 112.555 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -83.45 146.51 28.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 70.14 110.809 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 t -131.27 91.56 35.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.743 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.87 179.87 4.51 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.774 2.316 . . . . 70.12 112.439 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -67.37 -35.55 79.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.955 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.98 63.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.42 111.204 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.35 32.45 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 51.34 110.306 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.851 -0.613 . . . . 74.24 111.018 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.716 0.293 . . . . 74.34 111.469 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.43 -39.77 2.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 74.12 112.346 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -119.27 109.7 16.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.741 0.305 . . . . 63.22 110.694 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -104.05 112.41 25.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 75.15 111.161 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 m -111.78 119.7 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.556 . . . . 75.42 110.292 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.0 pt -81.2 -175.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 72.21 111.348 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 17.2 t80 -115.46 101.65 9.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 72.41 110.215 179.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 35.9 t -65.1 144.49 57.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.522 -0.308 . . . . 65.22 110.279 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.61 HG22 HD13 ' A' ' 35' ' ' ILE . 14.8 t -99.24 -21.97 15.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.658 0.265 . . . . 73.23 111.064 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -74.69 -44.73 48.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.001 0.429 . . . . 73.04 110.072 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mt -89.39 -13.27 38.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 73.11 110.777 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 60.9 40.68 15.34 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.902 0.382 . . . . 71.4 110.367 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.76 -168.2 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 73.2 110.447 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.7 tt0 -107.8 118.94 38.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 65.42 110.61 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.91 165.39 27.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.939 0.399 . . . . 54.41 111.33 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.35 171.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 72.43 110.749 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.12 179.99 16.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.587 -0.816 . . . . 53.22 112.517 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.51 142.96 26.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.716 0.293 . . . . 62.42 111.06 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -72.69 -31.52 65.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 63.02 111.178 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -130.12 140.73 50.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.5 110.985 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.3 134.67 57.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.82 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mt -90.59 -43.96 9.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 71.53 111.169 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -92.15 171.43 7.71 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.52 -0.309 . . . . 71.5 110.239 179.296 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 13.3 Cg_endo -94.0 -174.59 0.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.195 2.597 . . . . 65.33 113.1 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 35.6 -144.15 0.09 OUTLIER Glycine 0 C--N 1.332 0.312 0 CA-C-N 115.263 -0.88 . . . . 62.31 114.814 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -39.94 62.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.373 -0.414 . . . . 61.3 111.277 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.923 HD12 HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -48.03 -55.11 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.982 -0.554 . . . . 70.03 110.968 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.867 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -60.12 -28.44 66.53 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.341 -0.933 . . . . 70.33 111.988 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -60.38 -56.45 21.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 74.43 110.343 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.71 -37.94 86.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.569 . . . . 74.43 111.554 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.923 HD11 HD12 ' A' ' 27' ' ' LEU . 7.2 mt -65.07 -63.24 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-O 121.467 0.651 . . . . 73.55 109.998 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -54.2 -18.27 3.69 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.152 -0.931 . . . . 75.01 110.109 178.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -97.86 -51.32 4.11 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.942 0.719 . . . . 73.34 112.942 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 72.1 mm-40 -97.84 -20.23 17.64 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.918 0.71 . . . . 71.44 112.918 -177.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.61 HD13 HG22 ' A' ' 9' ' ' THR . 16.8 mm -101.43 115.42 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.754 0.311 . . . . 72.42 110.752 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.7 p -81.44 171.65 14.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 70.31 111.263 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -60.03 -33.17 71.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 71.22 110.893 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -48.31 81.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.875 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.32 -42.55 71.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 63.44 110.932 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.514 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 40.3 t-105 -56.26 -41.31 75.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.262 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.67 80.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.955 -0.566 . . . . 53.14 110.496 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -67.19 -33.98 76.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 75.14 110.168 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.478 ' CD1' ' CZ3' ' A' ' 40' ' ' TRP . 20.0 t-105 -71.54 -51.66 22.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.817 -0.629 . . . . 55.12 110.373 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 40' ' ' TRP . 13.5 mm100 -48.15 -40.24 23.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.921 0.391 . . . . 74.45 110.655 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.428 ' O ' HG22 ' A' ' 48' ' ' THR . 30.0 t60 -64.89 -40.82 95.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 61.45 110.556 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 49' ' ' MET . 5.8 tptp -80.96 -19.8 43.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.027 0.441 . . . . 74.13 110.434 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' TRP . 43.3 tt0 -70.02 -52.45 24.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.834 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 45' ' ' HIS . 14.6 t -53.67 -42.93 68.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.099 -0.5 . . . . 74.14 111.792 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.493 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -74.31 -35.78 63.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.726 0.298 . . . . 74.2 110.952 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.655 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 21.3 mt -60.14 -30.67 69.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 72.5 110.355 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.021 HD11 HD11 ' A' ' 67' ' ' LEU . 69.2 mt -82.46 -42.96 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 73.01 110.949 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -72.36 -33.95 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 75.53 111.61 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -81.09 -51.23 8.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.634 0.254 . . . . 72.53 111.074 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -74.41 -6.37 47.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.447 -0.342 . . . . 71.11 110.748 179.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.77 59.01 1.19 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 120.889 0.376 . . . . 74.11 110.541 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.902 ' HB2' HG23 ' A' ' 51' ' ' ILE . 72.0 mt -92.75 -178.7 4.93 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.552 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.91 105.6 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.975 0.417 . . . . 70.12 110.728 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.678 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.75 -18.52 21.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.832 -0.622 . . . . 34.55 111.785 -179.577 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.22 -25.58 42.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 74.53 111.012 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' OD1' ' HB3' ' A' ' 62' ' ' GLU . 7.8 t-20 -95.92 121.91 38.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 73.54 110.753 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -58.91 -27.26 65.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 75.0 111.413 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 2.9 tm-20 -67.48 -36.37 81.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.458 -0.337 . . . . 72.21 111.169 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.428 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 26.3 m170 -85.39 -37.62 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 60.41 110.461 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -55.17 -45.15 75.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 71.4 110.25 179.515 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -63.62 -26.51 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.929 -0.578 . . . . 61.24 109.965 179.14 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.88 HD22 HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -64.56 -47.37 78.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.091 -0.504 . . . . 65.44 110.049 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.021 HD11 HD11 ' A' ' 51' ' ' ILE . 3.5 mt -52.57 -42.26 64.33 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.331 -0.618 . . . . 63.34 109.331 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.751 ' CG ' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -55.54 -24.36 31.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.948 -1.024 . . . . 75.24 110.763 179.378 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -80.25 -47.4 14.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.967 -0.56 . . . . 75.11 111.051 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' OE2' HD22 ' A' ' 50' ' ' LEU . 6.7 mt-10 -63.62 -46.24 86.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 62.35 111.446 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.416 ' SD ' ' CE2' ' A' ' 23' ' ' TYR . 2.4 ptm -45.32 -36.41 4.1 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.743 0.306 . . . . 72.11 111.156 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.843 HG13 ' HB2' ' A' ' 76' ' ' PHE . 37.8 t -63.33 -61.93 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.958 0.409 . . . . 73.42 110.526 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.29 -20.24 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 64.34 111.585 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -94.91 -50.44 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.609 0.243 . . . . 74.22 111.633 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 43' ' ' TRP . 1.1 mt -103.25 -42.96 5.58 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.797 0.665 . . . . 74.13 112.797 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.843 ' HB2' HG13 ' A' ' 72' ' ' VAL . 56.6 m-85 -101.71 28.62 5.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.41 0.522 . . . . 73.34 112.41 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.1 tm-20 -65.33 41.18 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.901 0.381 . . . . 71.23 111.655 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 76' ' ' PHE . . . -140.54 -32.01 0.16 Allowed Glycine 0 N--CA 1.445 -0.767 0 C-N-CA 121.336 -0.459 . . . . 72.21 112.057 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -132.58 57.75 1.78 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.895 0.378 . . . . 73.2 110.788 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HA ' HG11 ' A' ' 72' ' ' VAL . 1.2 mt-10 -53.91 -25.1 18.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.174 -0.466 . . . . 72.03 111.116 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.592 ' O ' HG13 ' A' ' 81' ' ' VAL . 12.1 p -87.86 109.14 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.943 -0.571 . . . . 70.23 110.753 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.461 ' C ' HD12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -143.43 112.35 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 72.21 111.402 -179.526 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.461 HD12 ' C ' ' A' ' 82' ' ' HIS . 4.2 mp -147.91 119.02 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 64.22 110.799 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -109.26 132.19 54.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.389 . . . . 55.3 110.969 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.4 50.03 7.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 74.03 112.472 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -112.22 119.59 38.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.726 0.298 . . . . 70.14 110.87 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 p -137.91 100.35 8.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 74.1 111.158 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.05 60.23 4.6 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.471 2.114 . . . . 70.12 112.165 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.94 -55.99 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 73.11 110.742 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -115.78 19.27 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.127 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.94 106.12 5.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 51.34 110.847 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.749 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 120.828 0.347 . . . . 74.34 111.301 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.2 85.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.684 -0.77 . . . . 74.12 112.597 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -131.72 119.53 21.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 63.22 110.67 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 4' ' ' ARG . 12.4 tpp180 -104.41 98.75 8.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 75.15 110.985 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -124.32 116.36 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 75.42 110.698 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 33' ' ' ASN . 24.0 pt -79.72 -175.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 72.21 111.407 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -123.91 100.46 6.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 72.41 109.852 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.657 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 31.1 t -59.27 146.18 40.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 65.22 110.865 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.465 HG22 HD13 ' A' ' 35' ' ' ILE . 13.7 t -97.23 -27.05 14.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 73.23 111.157 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 48.2 t80 -74.57 -40.15 61.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.097 0.475 . . . . 73.04 110.105 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.71 -13.38 22.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.618 -0.719 . . . . 73.11 110.859 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 54.89 43.37 30.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.249 -0.432 . . . . 71.4 110.677 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -138.5 -169.13 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.249 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.48 119.02 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.396 . . . . 65.42 110.947 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB3' ' HB3' ' A' ' 36' ' ' SER . . . -125.8 167.5 15.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 54.41 111.096 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -10.68 59.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 72.43 111.492 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.27 -174.1 10.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.615 -0.802 . . . . 53.22 112.566 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.53 177.48 5.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.74 0.305 . . . . 62.42 110.973 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.72 -23.66 8.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.315 -0.402 . . . . 63.02 111.54 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.637 ' CE2' HD11 ' A' ' 22' ' ' LEU . 4.1 p90 -141.65 138.42 32.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.827 0.346 . . . . 75.5 110.914 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.514 ' NE2' ' HA2' ' A' ' 25' ' ' GLY . 9.4 tt0 -67.49 120.77 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.241 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.637 HD11 ' CE2' ' A' ' 20' ' ' PHE . 8.5 mp -94.84 -39.1 10.42 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.15 -0.477 . . . . 71.53 110.554 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.76 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -84.03 169.06 18.19 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.576 -0.738 . . . . 71.5 110.76 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.76 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 2.1 Cg_endo -42.68 -177.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.877 3.052 . . . . 65.33 113.098 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.514 ' HA2' ' NE2' ' A' ' 21' ' ' GLN . . . -81.11 -52.5 4.27 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.798 -0.715 . . . . 62.31 114.644 -178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.55 -54.64 42.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.981 0.419 . . . . 61.3 111.016 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.684 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -84.2 -51.37 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.266 0.839 . . . . 70.03 113.266 -178.18 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.555 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -44.32 -27.99 1.32 Allowed Glycine 0 C--O 1.23 -0.14 0 C-N-CA 120.525 -0.845 . . . . 70.33 113.687 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -58.0 -60.3 3.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.857 0.328 . . . . 74.43 110.969 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -57.28 -38.78 74.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.49 -0.323 . . . . 74.43 111.538 -179.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.664 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 4.0 mt -66.5 -58.26 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.097 0.475 . . . . 73.55 110.284 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -61.17 -19.17 61.25 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.543 -0.753 . . . . 75.01 111.075 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.453 ' O ' HD12 ' A' ' 6' ' ' ILE . 53.8 m-20 -100.86 -49.36 4.17 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.994 0.739 . . . . 73.34 112.994 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.657 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.4 mm-40 -94.9 -25.36 16.6 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.993 0.738 . . . . 71.44 112.993 -177.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 20.4 mm -100.13 109.81 25.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.984 0.421 . . . . 72.42 111.003 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.474 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 77.5 p -70.41 177.9 3.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.821 -0.627 . . . . 70.31 110.905 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -64.7 -34.48 78.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.323 -0.399 . . . . 71.22 111.033 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.14 -50.69 69.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.39 -0.368 . . . . 72.33 110.826 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -64.52 -33.74 76.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 63.44 110.698 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.664 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 49.9 t-105 -68.62 -38.26 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.797 -0.638 . . . . 72.4 110.64 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.56 -22.08 66.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 53.14 110.845 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -83.2 -25.68 31.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.291 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.624 ' HB2' HD11 ' A' ' 75' ' ' LEU . 18.3 t-105 -81.53 -49.27 10.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.895 -0.593 . . . . 55.12 110.35 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -48.69 -42.09 33.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.593 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.515 ' O ' HG22 ' A' ' 48' ' ' THR . 50.9 t60 -61.03 -43.34 99.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.132 -0.486 . . . . 61.45 109.914 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 49' ' ' MET . 13.0 tptt -74.71 -21.34 59.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 74.13 110.6 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.666 ' HG3' HD21 ' A' ' 67' ' ' LEU . 5.9 tt0 -70.36 -54.04 14.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 75.45 110.652 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 45' ' ' HIS . 12.7 t -53.64 -38.94 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 74.14 111.813 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -79.62 -43.69 22.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.594 0.235 . . . . 74.2 111.39 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 25.3 mt -55.18 -37.59 67.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.408 . . . . 72.5 110.665 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.797 HG23 ' HB2' ' A' ' 56' ' ' LEU . 83.3 mt -74.49 -39.1 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.009 -0.542 . . . . 73.01 111.253 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -76.73 -29.27 56.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.353 -0.385 . . . . 75.53 111.156 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -86.17 -53.43 5.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.474 -0.33 . . . . 72.53 111.249 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -74.17 -9.47 58.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.413 -0.358 . . . . 71.11 110.713 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.17 63.3 0.67 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.971 0.415 . . . . 74.11 110.67 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.921 HD21 HD22 ' A' ' 66' ' ' LEU . 52.5 mt -93.85 -173.89 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 75.54 110.905 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -155.51 103.61 2.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 70.12 110.384 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.723 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -57.17 -21.83 35.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 34.55 111.374 -179.608 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -19.96 47.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.698 0.285 . . . . 74.53 110.835 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -98.77 124.66 43.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 73.54 110.767 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.78 -32.81 73.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.0 111.198 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -37.34 82.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 72.21 111.014 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -85.34 -38.72 18.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 60.41 110.79 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.92 -45.95 64.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 71.4 110.36 179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -68.82 -22.37 64.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.925 -0.579 . . . . 61.24 110.418 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.921 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -68.96 -37.42 78.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.062 0.458 . . . . 65.44 109.867 179.315 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.666 HD21 ' HG3' ' A' ' 47' ' ' GLN . 0.7 OUTLIER -67.79 -47.29 69.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.884 -0.598 . . . . 63.34 109.711 179.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' CA ' ' HE2' ' A' ' 71' ' ' MET . 3.3 pt-20 -60.08 -23.47 63.81 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.708 -0.678 . . . . 75.24 109.976 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -75.23 -46.55 33.1 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.816 -0.629 . . . . 75.11 110.317 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.0 -43.2 75.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.484 . . . . 62.35 110.542 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.563 ' CE ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -47.89 -46.27 31.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.07 -0.514 . . . . 72.11 111.256 -179.771 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.826 HG13 ' HB2' ' A' ' 76' ' ' PHE . 88.7 t -53.78 -57.98 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 121.222 0.534 . . . . 73.42 110.054 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -51.14 -20.21 1.43 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.629 -0.714 . . . . 64.34 111.033 179.228 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -95.16 -50.06 5.23 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.343 -0.39 . . . . 74.22 111.426 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -103.26 -46.9 4.47 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.297 0.48 . . . . 74.13 112.297 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.826 ' HB2' HG13 ' A' ' 72' ' ' VAL . 95.1 m-85 -94.92 28.02 2.9 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 112.124 0.416 . . . . 73.34 112.124 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.0 tt0 -68.38 58.6 0.08 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.072 0.463 . . . . 71.23 110.826 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -169.27 -40.82 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.081 -0.58 . . . . 72.21 112.321 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.77 -39.64 35.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 73.2 110.536 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 51.62 89.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 72.03 111.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.518 ' O ' HG12 ' A' ' 81' ' ' VAL . 5.1 t -85.6 27.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 70.23 111.55 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -161.32 170.09 20.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 72.21 110.39 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.4 mt -135.37 139.88 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 64.22 111.339 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -153.57 172.98 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.563 . . . . 55.3 110.731 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.8 32.88 75.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.578 -0.82 . . . . 74.03 112.385 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -99.23 103.61 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 70.14 110.927 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.2 p -149.09 89.42 4.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.87 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.99 173.51 13.49 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.621 2.214 . . . . 70.12 112.404 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -84.0 -28.58 27.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 73.11 110.933 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 t70 73.79 -62.72 0.45 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.968 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.2 160.88 17.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.402 . . . . 51.34 110.864 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.696 179.816 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.791 0.329 . . . . 74.34 111.132 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.87 -45.21 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.438 -0.887 . . . . 74.12 113.092 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -118.68 133.51 55.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 63.22 111.496 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.2 84.71 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.952 -0.567 . . . . 75.15 110.633 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.554 HG22 ' HG2' ' A' ' 14' ' ' GLU . 7.4 m -134.2 97.53 3.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 75.42 110.552 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 33' ' ' ASN . 28.2 pt -79.4 -173.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.059 -0.519 . . . . 72.21 111.375 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 9.2 t80 -119.39 103.8 9.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.762 -0.654 . . . . 72.41 110.133 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.666 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 43.3 t -67.61 148.45 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.374 . . . . 65.22 110.591 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.505 HG22 ' CD1' ' A' ' 35' ' ' ILE . 13.0 t -97.67 -21.85 16.78 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.846 0.355 . . . . 73.23 111.156 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 46.4 t80 -74.19 -48.52 28.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.034 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -15.2 33.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 73.11 110.627 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 60.34 41.38 16.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 71.4 110.372 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.02 -170.98 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.0 -0.545 . . . . 73.2 110.352 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HG2' HG22 ' A' ' 5' ' ' THR . 4.1 tt0 -104.6 114.87 29.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.442 -0.344 . . . . 65.42 110.904 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.01 168.62 19.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 54.41 111.143 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -61.38 176.71 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.724 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.76 168.73 21.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.674 -0.774 . . . . 53.22 112.519 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 1.7 mp0 -86.84 149.37 24.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.868 0.366 . . . . 62.42 110.702 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.19 -27.09 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 63.02 111.539 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -131.37 133.27 45.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.39 . . . . 75.5 111.239 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 38.1 tt0 -59.52 118.66 6.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 75.54 110.966 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HG ' ' NE1' ' A' ' 40' ' ' TRP . 3.0 mm? -73.72 -43.92 57.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.128 -0.487 . . . . 71.53 111.403 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.629 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -95.69 166.08 15.29 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 71.5 110.476 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -92.95 -169.59 0.24 Allowed 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.879 2.386 . . . . 65.33 112.971 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.3 -146.09 0.15 Allowed Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.229 -0.896 . . . . 62.31 114.493 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -75.79 -39.87 56.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.329 -0.436 . . . . 61.3 111.295 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.871 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -50.81 -54.02 27.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.982 -179.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.656 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -58.5 -30.68 65.46 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.519 -0.848 . . . . 70.33 112.671 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -43.73 96.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.623 0.249 . . . . 74.43 111.234 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.871 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 6.7 ptm180 -69.72 -37.98 76.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 74.43 111.286 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.791 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 5.0 mt -64.47 -59.67 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.551 0.691 . . . . 73.55 109.823 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.49 ' HB2' ' HA ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -56.11 -18.51 10.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.882 -1.054 . . . . 75.01 111.182 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.533 ' O ' HD12 ' A' ' 6' ' ' ILE . 33.7 m-20 -100.41 -55.16 2.67 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.857 0.688 . . . . 73.34 112.857 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.666 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 61.3 mm-40 -95.12 -17.81 21.49 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.751 0.649 . . . . 71.44 112.751 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.619 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 21.8 mm -104.02 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.021 0.439 . . . . 72.42 110.889 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.9 p -59.78 -174.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.64 -0.709 . . . . 70.31 111.039 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -73.13 -35.0 66.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.405 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.53 -49.79 73.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.845 -0.616 . . . . 72.33 111.15 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.94 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 63.44 111.092 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.791 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 28.2 t-105 -63.01 -41.3 99.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 72.4 110.647 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.88 -28.26 69.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 53.14 110.852 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -81.06 -31.24 34.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.959 0.409 . . . . 75.14 109.902 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.546 ' CZ2' ' HB3' ' A' ' 71' ' ' MET . 22.6 t-105 -72.95 -49.71 27.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.915 -0.584 . . . . 55.12 109.985 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -43.39 32.7 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.996 0.427 . . . . 74.45 110.623 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -65.77 -31.59 72.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.789 -0.642 . . . . 61.45 110.629 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 49' ' ' MET . 1.2 tptt -86.05 -26.55 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 74.13 110.876 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.43 ' O ' HG13 ' A' ' 51' ' ' ILE . 34.0 tt0 -66.49 -51.83 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.967 0.413 . . . . 75.45 110.486 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.2 t -53.0 -38.54 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.846 -0.615 . . . . 74.14 112.129 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 2.0 ptp -80.19 -34.47 37.44 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.074 -0.25 . . . . 74.2 111.321 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 46' ' ' LYS . 45.8 mt -64.72 -30.94 71.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 72.5 110.531 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.99 HD11 HD11 ' A' ' 67' ' ' LEU . 49.9 mt -77.44 -38.59 26.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 73.01 110.513 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -78.26 -33.83 49.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.783 -0.644 . . . . 75.53 111.301 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -78.66 -54.38 6.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.743 0.306 . . . . 72.53 111.055 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -75.71 -6.18 49.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.319 -0.4 . . . . 71.11 110.635 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm 61.67 61.92 1.37 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.331 -0.395 . . . . 74.11 110.835 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.993 HD21 HD22 ' A' ' 66' ' ' LEU . 52.0 mt -88.11 -174.95 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 75.54 110.404 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.61 101.64 1.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 70.12 110.61 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.71 ' CE ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -56.73 -18.21 11.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.846 -0.616 . . . . 34.55 111.79 -179.306 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -14.1 58.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.577 0.227 . . . . 74.53 111.488 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -115.21 129.51 56.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.962 0.411 . . . . 73.54 110.965 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.98 -34.66 72.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 75.0 111.349 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -42.8 67.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 72.21 111.398 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.434 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 47.9 m170 -85.65 -33.22 21.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 60.41 111.134 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -52.41 -52.64 52.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 71.4 110.746 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.556 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 3.1 pttp -64.31 -28.89 70.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.961 -0.563 . . . . 61.24 110.889 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.993 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -60.77 -37.82 83.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.967 0.413 . . . . 65.44 109.925 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.99 HD11 HD11 ' A' ' 51' ' ' ILE . 3.2 mt -63.73 -47.94 79.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 63.34 109.886 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.68 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.91 -24.99 26.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.816 -0.629 . . . . 75.24 110.483 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.41 -48.3 20.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 75.11 110.414 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.35 -49.32 77.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.564 . . . . 62.35 110.926 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.546 ' HB3' ' CZ2' ' A' ' 43' ' ' TRP . 8.9 ptm -50.61 -35.53 30.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.326 -0.397 . . . . 72.11 111.096 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.765 HG13 ' HB2' ' A' ' 76' ' ' PHE . 86.1 t -66.82 -59.49 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 120.927 0.394 . . . . 73.42 110.269 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 4.5 t30 -52.01 -18.93 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 64.34 111.033 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -95.24 -51.13 4.74 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.509 -0.314 . . . . 74.22 111.651 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -103.26 -44.17 5.25 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.421 0.526 . . . . 74.13 112.421 -178.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.765 ' HB2' HG13 ' A' ' 72' ' ' VAL . 91.2 m-85 -97.22 28.62 3.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.36 0.504 . . . . 73.34 112.36 -178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 31.4 tt0 -67.09 59.25 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.192 0.52 . . . . 71.23 110.615 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -167.38 -39.94 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.616 -0.72 . . . . 72.21 111.825 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -117.11 45.75 1.82 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 73.2 110.046 179.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.512 ' HG2' HG12 ' A' ' 72' ' ' VAL . 21.1 mt-10 -60.9 83.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.801 -0.636 . . . . 72.03 111.284 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 79' ' ' LYS . 11.9 t -94.35 107.98 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.448 -0.342 . . . . 70.23 110.812 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.409 ' C ' HG13 ' A' ' 83' ' ' ILE . 5.8 p80 -93.75 67.34 3.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.157 0.503 . . . . 72.21 111.236 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 82' ' ' HIS . 16.8 mt -141.94 145.92 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.546 -0.752 . . . . 64.22 110.496 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.78 117.8 18.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 55.3 111.009 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.08 86.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.831 -0.699 . . . . 74.03 112.28 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -107.45 123.68 48.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 70.14 111.203 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.3 p -114.23 83.5 8.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 74.1 110.505 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -84.84 174.16 7.69 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.739 2.293 . . . . 70.12 112.667 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -69.83 -48.11 60.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 73.11 110.589 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -111.66 148.96 32.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.806 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.538 ' HD2' ' N ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -92.16 120.8 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 51.34 110.973 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.478 -0.328 . . . . 74.24 111.037 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.84 0.352 . . . . 74.34 111.225 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.73 -128.69 1.08 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.874 -0.679 . . . . 74.12 112.395 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.82 123.07 8.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.342 . . . . 63.22 110.903 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.1 144.74 28.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.062 -0.517 . . . . 75.15 110.71 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -132.48 107.5 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.952 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.3 pt -82.35 -175.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 72.21 111.387 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 11.3 t80 -120.76 100.79 7.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.566 . . . . 72.41 110.126 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 33.8 t -59.32 144.64 45.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.369 -0.378 . . . . 65.22 110.78 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.635 HG22 HD13 ' A' ' 35' ' ' ILE . 14.8 t -97.02 -25.1 15.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.591 -0.277 . . . . 73.23 111.115 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 74' ' ' PHE . 54.5 t80 -74.61 -42.71 58.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.029 0.442 . . . . 73.04 110.144 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.62 -13.1 32.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.881 -0.6 . . . . 73.11 110.595 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 57.27 42.6 24.94 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.37 -0.377 . . . . 71.4 110.031 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -141.35 -166.39 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.907 -0.588 . . . . 73.2 110.522 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 1.3 tt0 -111.32 117.86 34.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 65.42 110.949 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HB3' ' CB ' ' A' ' 36' ' ' SER . . . -122.58 -178.49 3.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 54.41 111.272 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.89 -12.75 59.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 72.43 111.453 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 36' ' ' SER . . . 59.56 174.09 0.73 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.625 -0.798 . . . . 53.22 112.43 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.573 HE22 HG22 ' A' ' 31' ' ' ILE . 52.5 mt-30 -83.73 175.83 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 62.42 110.822 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.06 -26.41 7.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 63.02 111.254 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -142.27 143.15 32.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 75.5 111.089 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 24' ' ' PRO . 20.1 tt0 -66.22 122.05 16.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.99 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.25 -36.8 9.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.522 . . . . 71.53 110.834 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.697 ' CG ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -85.94 169.01 16.75 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.824 -0.625 . . . . 71.5 110.617 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.697 ' HD2' ' CG ' ' A' ' 23' ' ' TYR . 3.4 Cg_endo -43.97 -173.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.585 2.857 . . . . 65.33 113.109 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.96 -74.57 0.57 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 115.466 0.946 . . . . 62.31 115.466 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -53.95 -55.65 25.06 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.504 0.557 . . . . 61.3 112.504 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.74 HD22 ' HE3' ' A' ' 71' ' ' MET . 5.5 mt -74.46 -54.61 7.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.757 0.651 . . . . 70.03 112.757 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.858 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -50.19 -20.5 3.44 Favored Glycine 0 C--O 1.229 -0.179 0 C-N-CA 120.203 -0.999 . . . . 70.33 113.673 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -57.22 5.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.066 0.433 . . . . 74.43 111.121 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.672 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 8.2 ptp180 -58.36 -37.46 75.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.667 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.858 HD12 ' HA2' ' A' ' 28' ' ' GLY . 5.0 mt -63.73 -55.52 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 121.642 0.734 . . . . 73.55 109.596 178.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -20.5 38.15 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.584 -1.189 . . . . 75.01 110.811 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -100.56 -53.38 3.1 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.101 0.778 . . . . 73.34 113.101 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.571 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -95.1 -24.21 16.97 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.976 0.732 . . . . 71.44 112.976 -178.006 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.635 HD13 HG22 ' A' ' 9' ' ' THR . 17.6 mm -99.49 98.19 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.953 0.406 . . . . 72.42 110.79 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.414 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 80.3 p -62.69 -179.32 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.895 -0.593 . . . . 70.31 111.046 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -69.67 -34.8 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.22 111.124 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -60.25 -50.97 71.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.959 0.409 . . . . 72.33 110.459 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.98 -34.87 78.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 63.44 110.56 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.722 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 31.2 t-105 -62.81 -47.1 84.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.879 -0.601 . . . . 72.4 110.812 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.39 -21.42 36.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 53.14 111.194 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -82.05 -34.95 29.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.883 0.373 . . . . 75.14 110.04 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 17.2 t-105 -72.84 -51.78 17.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 55.12 110.121 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -46.18 -43.42 15.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.107 -0.497 . . . . 74.45 110.948 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.492 ' O ' HG22 ' A' ' 48' ' ' THR . 51.8 t60 -61.66 -42.6 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 61.45 110.55 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HA ' ' SD ' ' A' ' 49' ' ' MET . 0.8 OUTLIER -78.16 -24.44 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 74.13 110.822 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.411 ' HG3' HD13 ' A' ' 67' ' ' LEU . 8.0 tt0 -65.96 -51.54 57.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 75.45 111.012 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 45' ' ' HIS . 14.3 t -54.63 -41.98 70.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.432 -179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.436 ' SD ' ' HA ' ' A' ' 46' ' ' LYS . 2.8 ptm -77.78 -29.44 50.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.626 0.251 . . . . 74.2 110.859 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.653 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 13.1 mt -65.94 -29.22 69.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 72.5 110.251 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.879 HD11 HD11 ' A' ' 67' ' ' LEU . 63.2 mt -83.67 -37.26 13.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.037 -0.529 . . . . 73.01 110.655 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -73.14 -49.03 30.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.968 -0.56 . . . . 75.53 111.186 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.74 -53.55 26.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 72.53 111.405 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.653 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -73.22 -13.97 61.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.339 . . . . 71.11 110.909 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt 66.86 63.09 0.49 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.345 -0.389 . . . . 74.11 111.107 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.827 ' HB2' HG23 ' A' ' 51' ' ' ILE . 73.3 mt -93.37 179.51 5.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.446 -0.343 . . . . 75.54 110.423 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -144.39 108.88 4.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.779 0.323 . . . . 70.12 110.814 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.803 ' HE1' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -62.45 -21.81 65.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 34.55 111.692 -179.37 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.92 -28.75 39.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 74.53 110.988 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.74 125.99 38.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.352 -0.386 . . . . 73.54 110.703 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -63.9 -28.72 70.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 75.0 111.391 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.15 -40.94 82.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.326 -0.397 . . . . 72.21 111.433 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.421 ' ND1' ' HA ' ' A' ' 56' ' ' LEU . 39.6 m170 -85.65 -38.53 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 60.41 110.889 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.89 -46.01 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 71.4 110.384 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -65.66 -28.34 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 61.24 110.333 179.343 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.551 HD22 HD21 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -64.46 -45.13 88.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.013 -0.54 . . . . 65.44 110.408 179.484 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.879 HD11 HD11 ' A' ' 51' ' ' ILE . 3.4 mt -55.35 -47.15 76.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.026 -0.534 . . . . 63.34 110.536 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 10.8 mt-10 -50.77 -25.75 4.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 75.24 110.605 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.62 -52.59 10.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.963 -0.562 . . . . 75.11 111.115 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -56.15 -52.04 65.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 62.35 111.256 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.74 ' HE3' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -43.67 -42.45 5.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.081 -0.509 . . . . 72.11 111.761 -179.322 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.813 HG13 ' HB2' ' A' ' 76' ' ' PHE . 97.3 t -54.57 -57.53 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.905 0.383 . . . . 73.42 110.592 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 3.1 t30 -51.8 -20.34 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 64.34 111.419 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.433 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 27.4 t80 -95.4 -51.24 4.66 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.926 0.343 . . . . 74.22 111.926 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -101.95 -45.13 5.29 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.55 0.574 . . . . 74.13 112.55 -178.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.813 ' HB2' HG13 ' A' ' 72' ' ' VAL . 49.5 m-85 -97.78 28.58 3.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.315 0.487 . . . . 73.34 112.315 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -67.8 60.26 0.07 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.47 -0.787 . . . . 71.23 110.683 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -166.96 -37.16 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.658 -0.701 . . . . 72.21 112.119 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -91.59 -44.15 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 73.2 110.7 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 54.94 102.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 72.03 110.918 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.597 ' O ' HG12 ' A' ' 81' ' ' VAL . 16.4 t -83.02 10.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 70.23 111.749 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -139.94 159.06 43.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.369 . . . . 72.21 110.945 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.83 128.74 65.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 64.22 111.024 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.89 59.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 55.3 110.671 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.15 52.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.719 . . . . 74.03 112.324 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -94.07 156.57 16.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.935 0.398 . . . . 70.14 111.062 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.7 p -123.39 85.73 52.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 74.1 110.812 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.51 -177.07 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.495 2.13 . . . . 70.12 112.325 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -52.33 5.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.992 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 60.43 29.68 19.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.366 -0.379 . . . . 74.42 110.915 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.95 114.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 51.34 110.51 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 74.24 111.138 -179.714 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 120.825 0.345 . . . . 74.34 111.257 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.21 79.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.69 -0.767 . . . . 74.12 112.557 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.53 135.97 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.672 0.273 . . . . 63.22 110.751 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.01 169.14 10.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.385 -0.371 . . . . 75.15 111.235 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -122.26 117.05 25.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 75.42 110.275 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.4 pt -80.64 -178.71 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.138 0.494 . . . . 72.21 111.56 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -117.95 95.8 5.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.568 -0.742 . . . . 72.41 109.766 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.71 147.16 34.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.26 -0.427 . . . . 65.22 110.751 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.602 HG22 HD13 ' A' ' 35' ' ' ILE . 15.3 t -97.93 -24.2 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 73.23 110.972 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -74.52 -45.5 45.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.04 110.23 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -88.78 -17.11 30.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.895 -0.593 . . . . 73.11 110.482 179.048 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 60.62 41.29 15.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 71.4 110.143 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.29 -174.84 4.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 73.2 110.419 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -99.09 113.23 25.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.691 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.62 158.29 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 54.41 110.878 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.08 -19.78 47.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 72.43 111.284 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.09 -167.8 54.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.699 -0.763 . . . . 53.22 112.437 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.67 179.86 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 62.42 110.828 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -122.56 -26.48 4.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 63.02 111.513 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -134.04 134.87 42.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 75.5 111.44 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 21.5 tt0 -60.72 127.96 34.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 75.54 110.753 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD13 ' NE1' ' A' ' 40' ' ' TRP . 1.9 mt -93.18 -41.19 10.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 71.53 111.184 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.646 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -94.82 166.97 13.96 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.408 -0.36 . . . . 71.5 110.116 179.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.535 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 11.1 Cg_endo -93.85 -176.72 0.54 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.966 2.444 . . . . 65.33 113.006 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 46.12 -141.95 5.12 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 115.43 -0.805 . . . . 62.31 114.145 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -81.2 -39.42 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.525 -0.338 . . . . 61.3 111.326 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.793 ' HG ' ' HG3' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -49.62 -54.2 19.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.103 0.478 . . . . 70.03 110.557 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.646 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -56.85 -30.99 60.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.298 -0.953 . . . . 70.33 111.368 179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -50.99 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 74.43 110.212 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.655 ' HD2' HD13 ' A' ' 27' ' ' LEU . 4.8 ptp180 -63.81 -42.2 97.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 74.43 110.955 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.759 HD11 HD12 ' A' ' 27' ' ' LEU . 10.5 mt -62.05 -56.75 15.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 CA-C-O 121.586 0.707 . . . . 73.55 109.408 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.59 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -58.45 -18.46 28.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.847 -1.07 . . . . 75.01 109.719 178.137 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -91.9 -64.44 1.11 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.71 0.633 . . . . 73.34 112.71 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -94.6 -12.35 27.63 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.957 0.725 . . . . 71.44 112.957 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.616 HG21 HD22 ' A' ' 75' ' ' LEU . 16.0 mm -108.27 92.93 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.982 0.42 . . . . 72.42 111.035 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.5 p -60.82 -178.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 70.31 110.73 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -68.44 -32.05 71.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.387 -0.369 . . . . 71.22 111.241 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.53 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.1 tt0 -61.76 -45.36 94.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.4 -0.364 . . . . 72.33 111.074 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.87 -37.89 64.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 63.44 110.751 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 54.5 t-105 -61.96 -33.07 73.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.116 -0.493 . . . . 72.4 110.838 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.48 -27.53 66.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 53.14 111.067 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -77.29 -33.86 55.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.047 0.451 . . . . 75.14 109.995 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ3' ' HA ' ' A' ' 71' ' ' MET . 19.8 t-105 -70.97 -50.22 36.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.885 -0.598 . . . . 55.12 110.106 179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -52.75 -38.44 60.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.378 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.428 ' O ' HG22 ' A' ' 48' ' ' THR . 17.8 t60 -64.3 -32.21 73.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.754 -0.657 . . . . 61.45 110.138 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 7.5 tptt -87.78 -25.35 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 74.13 110.783 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.613 ' HG3' HD21 ' A' ' 67' ' ' LEU . 2.9 tt0 -60.69 -51.41 69.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 75.45 110.295 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 45' ' ' HIS . 12.1 t -49.45 -43.73 45.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 74.14 111.524 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 5.3 ptp -78.01 -35.57 49.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 74.2 110.879 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.552 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 17.0 mt -63.94 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.391 . . . . 72.5 110.546 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.827 HG23 ' HB2' ' A' ' 56' ' ' LEU . 64.9 mt -83.16 -46.33 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 73.01 111.135 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -71.07 -27.26 63.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.41 . . . . 75.53 111.454 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -86.26 -54.0 4.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.505 -0.316 . . . . 72.53 111.502 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -75.04 -5.61 45.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.556 -0.293 . . . . 71.11 111.391 -179.645 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 0.8 OUTLIER 66.75 60.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 74.11 110.897 -179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.827 ' HB2' HG23 ' A' ' 51' ' ' ILE . 90.5 mt -97.72 170.9 8.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 75.54 110.148 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -145.12 105.53 4.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.745 0.307 . . . . 70.12 111.036 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.601 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -55.49 -19.11 8.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 34.55 111.57 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -28.36 41.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.762 0.315 . . . . 74.53 110.645 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.44 105.55 17.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.479 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -45.87 -30.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 75.0 111.639 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 14.1 tp10 -64.11 -33.97 76.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 72.21 111.258 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -85.38 -39.22 17.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.257 -0.429 . . . . 60.41 110.824 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -38.63 60.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.346 -0.388 . . . . 71.4 110.269 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 11.1 ptpt -75.26 -26.85 59.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 61.24 110.065 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.59 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -61.84 -43.44 98.84 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.281 -0.637 . . . . 65.44 109.281 178.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD21 ' HG3' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -60.08 -33.95 72.79 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.04 -0.726 . . . . 63.34 109.04 178.309 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.793 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 42.9 tt0 -61.85 -21.92 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.233 -0.894 . . . . 75.24 110.161 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -82.42 -49.99 9.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 75.11 110.888 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -64.6 -32.59 74.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 62.35 110.989 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.487 ' HA ' ' CZ3' ' A' ' 43' ' ' TRP . 3.1 ptm -56.85 -34.18 67.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.403 -0.362 . . . . 72.11 111.377 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.828 HG13 ' HB2' ' A' ' 76' ' ' PHE . 86.3 t -62.16 -59.51 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 73.42 110.565 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 49.4 t-20 -50.51 -19.67 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 64.34 111.389 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -95.32 -50.46 5.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.493 -0.322 . . . . 74.22 111.656 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.616 HD22 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -103.4 -45.17 4.94 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.775 0.657 . . . . 74.13 112.775 -178.418 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.828 ' HB2' HG13 ' A' ' 72' ' ' VAL . 54.7 m-85 -97.81 28.58 3.8 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.03 0.382 . . . . 73.34 112.03 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 1.3 tt0 -66.29 58.25 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.857 -0.61 . . . . 71.23 111.113 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -175.17 -43.11 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.943 -0.646 . . . . 72.21 112.51 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.2 -35.93 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 73.2 110.816 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 56.19 81.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 72.03 110.933 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.2 t -71.61 130.71 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.237 -0.438 . . . . 70.23 110.616 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -93.59 126.41 38.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.327 -0.397 . . . . 72.21 111.175 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.6 105.98 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 64.22 110.84 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.39 169.5 17.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 55.3 111.006 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.56 20.84 70.28 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.758 -0.734 . . . . 74.03 112.416 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -95.96 111.42 23.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 70.14 110.709 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 p -122.57 109.17 32.83 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 74.1 111.033 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.16 127.96 11.76 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.515 2.143 . . . . 70.12 112.47 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.59 -42.55 22.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.731 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -126.57 122.41 35.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.06 -0.518 . . . . 74.42 110.602 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -163.87 -44.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 51.34 111.124 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 74.24 111.023 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ttm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.825 0.345 . . . . 74.34 111.158 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.07 74.18 0.51 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.708 -0.758 . . . . 74.12 112.527 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.08 121.7 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 63.22 111.112 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.477 ' H ' ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -61.41 149.45 38.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.724 -0.671 . . . . 75.15 110.774 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.47 HG22 ' HG2' ' A' ' 14' ' ' GLU . 18.5 m -119.55 113.83 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 75.42 110.663 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.9 pt -80.98 -177.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 72.21 111.196 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 4.6 t80 -118.96 100.46 7.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.921 -0.581 . . . . 72.41 110.001 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 22.8 t -62.32 145.8 52.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 65.22 110.782 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.522 HG22 HD13 ' A' ' 35' ' ' ILE . 13.5 t -96.89 -22.21 17.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 73.23 110.629 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -74.3 -44.89 50.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 73.04 109.842 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -92.43 -18.46 23.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.577 -0.738 . . . . 73.11 110.628 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 62.36 41.17 10.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 71.4 110.485 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HD2' ' HB3' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -140.24 -173.82 3.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 73.2 110.372 179.123 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' HG2' HG22 ' A' ' 5' ' ' THR . 3.6 tt0 -103.51 112.71 25.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 65.42 110.764 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' HG23 ' A' ' 5' ' ' THR . . . -120.96 158.94 26.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 54.41 111.286 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.03 -22.12 36.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 72.43 111.433 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.46 -151.88 52.0 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.795 -0.717 . . . . 53.22 112.869 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -116.44 167.14 11.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.85 0.357 . . . . 62.42 110.977 -179.738 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -106.86 -23.57 12.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 63.02 111.182 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -138.41 144.24 40.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 75.5 111.016 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 45.5 tt0 -64.21 118.69 8.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.81 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.401 HD12 ' NE1' ' A' ' 40' ' ' TRP . 20.5 mt -84.32 -36.93 22.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 71.53 111.579 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.65 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -100.97 164.09 16.74 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.607 0.242 . . . . 71.5 110.544 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 9.0 Cg_endo -92.21 -165.41 0.15 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.901 2.401 . . . . 65.33 112.718 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.63 -148.81 0.52 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.392 -0.822 . . . . 62.31 114.128 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -81.51 -38.13 26.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.135 -0.533 . . . . 61.3 111.581 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.647 HD22 ' SD ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -56.08 -46.06 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 70.03 110.5 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.615 ' CA ' ' HB3' ' A' ' 23' ' ' TYR . . . -58.07 -34.84 74.21 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.17 -1.014 . . . . 70.33 111.856 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -41.94 77.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.564 0.221 . . . . 74.43 110.985 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 16.2 ptm180 -70.07 -43.8 70.41 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.615 -0.266 . . . . 74.43 110.936 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.624 HG21 ' CZ3' ' A' ' 40' ' ' TRP . 6.5 mt -60.12 -53.51 47.6 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 CA-C-O 121.628 0.728 . . . . 73.55 109.434 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -60.15 -18.26 46.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.684 -1.144 . . . . 75.01 109.97 178.538 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -96.54 -54.87 3.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.906 0.706 . . . . 73.34 112.906 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 20.3 mt-10 -94.68 -16.17 23.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.794 0.665 . . . . 71.44 112.794 -177.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.587 ' CG2' HD22 ' A' ' 75' ' ' LEU . 15.2 mm -109.34 127.35 66.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.887 0.375 . . . . 72.42 110.585 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -94.49 178.28 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 70.31 111.202 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HG2' ' HG3' ' A' ' 18' ' ' GLN . 4.3 mttm -63.04 -37.08 85.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 71.22 110.973 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 2.4 tt0 -57.83 -44.82 86.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.866 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.21 -36.76 29.65 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.496 -0.32 . . . . 63.44 110.849 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.624 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 52.8 t-105 -62.64 -38.16 89.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 72.4 110.35 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.0 94.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.117 -0.492 . . . . 53.14 110.345 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 17.3 mt-30 -64.18 -33.23 75.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 75.14 110.215 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.684 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 26.1 t-105 -70.38 -49.87 44.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 55.12 110.489 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.75 -50.68 43.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 74.45 110.515 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -57.56 -31.86 66.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.933 -0.576 . . . . 61.45 110.351 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 3.2 tppt? -83.68 -28.79 28.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 74.13 110.594 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.573 ' HA ' HD11 ' A' ' 67' ' ' LEU . 24.2 tt0 -62.18 -53.84 49.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 75.45 110.465 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 49' ' ' MET . 13.9 t -53.58 -48.67 68.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.846 -0.615 . . . . 74.14 111.623 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.467 ' N ' HG23 ' A' ' 48' ' ' THR . 20.0 ptm -66.68 -35.17 79.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 74.2 111.167 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.617 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 15.6 mt -58.91 -34.65 71.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.021 0.439 . . . . 72.5 110.386 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.795 HG23 ' HB2' ' A' ' 56' ' ' LEU . 52.0 mt -80.66 -37.85 16.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 73.01 111.074 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -73.11 -40.31 65.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.89 -0.596 . . . . 75.53 111.649 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -78.56 -54.34 6.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.642 -0.254 . . . . 72.53 111.572 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -71.4 -8.51 54.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.603 0.239 . . . . 71.11 111.238 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmpp? 63.87 60.37 1.05 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.806 0.336 . . . . 74.11 110.975 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.948 HD21 HD22 ' A' ' 66' ' ' LEU . 81.9 mt -92.85 -175.77 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.536 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.85 102.13 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.945 0.402 . . . . 70.12 110.821 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.735 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -61.79 -14.08 29.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 34.55 111.58 -179.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 ttm -79.43 -8.67 59.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.707 0.289 . . . . 74.53 110.808 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.48 124.88 46.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 73.54 110.493 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.456 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -54.0 -35.53 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 75.0 111.36 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -54.43 -43.19 71.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.393 . . . . 72.21 111.474 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -85.58 -39.2 17.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 60.41 110.996 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -47.11 -48.9 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 71.4 110.999 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -65.89 -26.92 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 61.24 110.838 179.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.948 HD22 HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -55.09 -44.18 74.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.375 -0.375 . . . . 65.44 110.702 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.684 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -61.89 -45.19 94.81 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.82 -0.437 . . . . 63.34 109.82 179.191 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.609 ' CG ' HD13 ' A' ' 27' ' ' LEU . 18.6 tt0 -57.76 -21.58 42.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.781 -0.645 . . . . 75.24 110.138 179.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -80.38 -50.37 10.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.789 -0.641 . . . . 75.11 110.622 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.82 -25.63 67.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 62.35 111.534 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.647 ' SD ' HD22 ' A' ' 27' ' ' LEU . 3.1 ptm -58.39 -33.98 70.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 72.11 110.97 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.784 HG13 ' HB2' ' A' ' 76' ' ' PHE . 83.6 t -63.51 -59.71 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.204 0.526 . . . . 73.42 109.776 178.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -48.46 -22.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.717 -0.674 . . . . 64.34 111.52 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -93.39 -53.11 4.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.525 -0.307 . . . . 74.22 111.667 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD22 ' CG2' ' A' ' 35' ' ' ILE . 1.1 mt -101.97 -39.57 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.845 0.683 . . . . 74.13 112.845 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.784 ' HB2' HG13 ' A' ' 72' ' ' VAL . 30.8 m-85 -101.67 28.72 5.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.94 0.4 . . . . 73.34 111.606 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 tt0 -66.74 59.44 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.586 -0.733 . . . . 71.23 110.703 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -161.74 -41.09 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.879 -0.889 . . . . 72.21 110.879 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.7 79.19 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.481 -0.563 . . . . 73.2 109.481 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.32 90.54 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 72.03 111.627 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 81' ' ' VAL . 8.4 t -89.6 41.57 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.206 -0.452 . . . . 70.23 110.352 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 82' ' ' HIS . 2.9 m170 -90.34 116.35 28.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.049 -0.523 . . . . 72.21 110.892 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.493 HG21 ' CD1' ' A' ' 86' ' ' TYR . 2.8 mp -137.96 139.21 42.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.806 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.97 78.29 9.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 55.3 110.965 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.28 72.14 0.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.816 -0.707 . . . . 74.03 112.653 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CD1' HG21 ' A' ' 83' ' ' ILE . 1.1 t80 -127.91 110.77 12.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 70.14 110.842 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.55 87.83 27.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.1 110.789 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.13 93.8 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.595 2.196 . . . . 70.12 112.365 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.37 -38.52 17.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 73.11 110.769 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.05 101.29 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 74.42 110.793 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -69.36 83.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 51.34 110.901 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 74.24 110.906 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 mtp . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.755 0.312 . . . . 74.34 111.233 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 126.49 -164.26 20.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 74.12 112.433 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -119.77 128.58 53.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.322 . . . . 63.22 110.745 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -92.7 96.41 10.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 75.15 110.851 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 70.9 m -89.4 114.01 25.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 75.42 110.513 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt -80.08 -175.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 72.21 111.34 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 7.0 t80 -119.66 96.73 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 72.41 110.265 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 24.4 t -59.46 146.66 39.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 65.22 110.849 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.588 HG22 HD13 ' A' ' 35' ' ' ILE . 15.2 t -98.03 -24.53 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 73.23 110.729 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -74.38 -45.0 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.112 0.482 . . . . 73.04 109.965 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.0 -18.75 28.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.64 -0.709 . . . . 73.11 110.728 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 62.48 40.49 10.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.417 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -142.17 -171.17 3.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.972 -0.558 . . . . 73.2 110.39 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -106.88 114.22 28.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 65.42 110.45 179.646 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.98 158.97 43.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.052 0.454 . . . . 54.41 111.663 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.64 176.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.792 -0.64 . . . . 72.43 110.799 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -128.72 -172.9 13.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.55 -0.833 . . . . 53.22 112.791 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.0 143.61 32.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 62.42 110.529 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -27.62 35.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 63.02 111.29 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -130.11 132.76 46.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.351 . . . . 75.5 111.24 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 26.9 tt0 -60.55 137.35 58.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.622 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.2 mt -96.75 -42.25 8.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 71.53 111.365 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.647 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -93.92 160.43 32.45 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.352 -0.385 . . . . 71.5 110.262 179.643 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.604 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 24.5 Cg_endo -89.29 -176.48 1.33 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.55 2.167 . . . . 65.33 113.195 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.96 -139.79 1.99 Allowed Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.182 -0.917 . . . . 62.31 114.267 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.644 ' HG3' ' HA ' ' A' ' 84' ' ' GLU . 4.3 mm-40 -81.44 -43.36 19.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.324 -0.438 . . . . 61.3 111.977 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 68' ' ' GLU . 3.7 mt -47.11 -45.8 22.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.902 0.382 . . . . 70.03 110.211 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.68 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -65.44 -32.17 82.61 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.687 -0.768 . . . . 70.33 112.252 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 4.8 ttpp -61.35 -55.71 28.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 74.43 110.318 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 1.8 ptp180 -59.92 -42.44 93.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.015 -0.538 . . . . 74.43 112.106 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.804 HD11 ' HE1' ' A' ' 71' ' ' MET . 8.0 mt -60.51 -59.27 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 CA-C-O 121.654 0.74 . . . . 73.55 109.879 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.8 -17.9 27.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.73 -1.123 . . . . 75.01 110.371 179.011 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.2 m-80 -95.51 -61.25 1.5 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.389 0.514 . . . . 73.34 112.389 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.562 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 4.3 mm-40 -94.59 -15.96 23.63 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.904 0.705 . . . . 71.44 112.904 -177.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.588 HD13 HG22 ' A' ' 9' ' ' THR . 13.0 mm -105.0 94.61 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 72.42 110.6 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 p -58.46 -177.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.044 -0.525 . . . . 70.31 110.793 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -27.48 62.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.904 0.383 . . . . 71.22 110.812 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -47.11 72.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 72.33 110.783 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.43 -40.62 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 63.44 110.975 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.468 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 32.5 t-105 -60.28 -35.88 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.779 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.19 -23.25 65.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 53.14 111.093 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -80.1 -27.87 39.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.385 . . . . 75.14 110.224 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.704 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 24.9 t-105 -81.46 -52.82 6.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.038 -0.528 . . . . 55.12 110.342 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -48.0 -40.27 22.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 74.45 110.581 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -65.22 -33.01 74.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.847 -0.615 . . . . 61.45 110.037 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' O ' ' HG3' ' A' ' 49' ' ' MET . 9.7 tptt -86.39 -19.53 29.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.853 -0.612 . . . . 74.13 110.639 179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.498 ' HA ' HD11 ' A' ' 67' ' ' LEU . 2.2 tt0 -70.01 -46.91 64.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 75.45 110.516 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.9 t -57.53 -40.87 79.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.994 -0.548 . . . . 74.14 111.788 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.564 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -74.11 -37.3 64.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.692 0.282 . . . . 74.2 111.235 -179.578 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.582 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 50.0 mt -62.25 -28.96 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 72.5 110.818 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.814 HG21 ' CE ' ' A' ' 58' ' ' MET . 70.6 mt -84.16 -36.07 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.013 0.435 . . . . 73.01 110.942 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -77.88 -32.55 51.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.734 -0.667 . . . . 75.53 111.161 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -82.68 -54.46 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 72.53 111.404 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -72.31 -8.42 54.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.541 -0.3 . . . . 71.11 111.094 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt 65.69 60.81 0.7 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.842 0.354 . . . . 74.11 110.418 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.737 ' HB2' HG23 ' A' ' 51' ' ' ILE . 72.6 mt -95.26 -175.74 3.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 75.54 110.587 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' H ' ' HB3' ' A' ' 63' ' ' HIS . 1.0 OUTLIER -152.76 106.14 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.431 -0.349 . . . . 70.12 110.692 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.814 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -61.92 -11.53 13.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 34.55 111.713 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.2 ttt -79.46 -20.63 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.729 0.299 . . . . 74.53 110.692 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.49 132.04 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.54 110.564 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.05 -29.83 71.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 75.0 111.172 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -65.32 -35.59 81.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 72.21 110.879 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.414 ' HB3' ' H ' ' A' ' 57' ' ' ASN . 35.1 m170 -85.17 -36.21 21.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 60.41 110.723 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HA ' HH11 ' A' ' 64' ' ' ARG . 1.1 tpt85 -57.86 -42.29 84.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.4 110.412 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.689 ' O ' ' HG2' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -68.18 -17.32 64.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.829 -0.623 . . . . 61.24 110.782 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.493 HD22 HD11 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -68.06 -43.78 77.85 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.668 -0.413 . . . . 65.44 109.931 179.27 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD21 ' CG1' ' A' ' 51' ' ' ILE . 2.7 mm? -62.59 -47.8 82.21 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.615 -0.513 . . . . 63.34 109.615 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 7.0 pt-20 -60.91 -22.17 64.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.877 -0.601 . . . . 75.24 109.972 178.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -76.41 -47.73 22.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.833 -0.621 . . . . 75.11 110.164 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.68 -37.99 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.867 -0.606 . . . . 62.35 110.654 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.804 ' HE1' HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -47.39 -39.37 15.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.317 -0.401 . . . . 72.11 110.9 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.776 HG13 ' HB2' ' A' ' 76' ' ' PHE . 93.7 t -58.23 -58.07 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.131 0.491 . . . . 73.42 110.396 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 77' ' ' GLU . 3.2 t-20 -51.22 -20.74 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.852 -0.613 . . . . 64.34 111.479 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -95.79 -49.48 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.784 0.29 . . . . 74.22 111.784 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.22 -46.35 4.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.333 0.494 . . . . 74.13 112.333 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.776 ' HB2' HG13 ' A' ' 72' ' ' VAL . 48.1 m-85 -96.95 28.84 3.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.322 -0.399 . . . . 73.34 112.024 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.7 tm-20 -66.37 50.02 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.74 -0.663 . . . . 71.23 111.138 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 76' ' ' PHE . . . -147.3 -36.09 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 111.231 -0.748 . . . . 72.21 111.231 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.83 65.46 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.985 0.421 . . . . 73.2 110.267 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.541 ' HA ' HG11 ' A' ' 72' ' ' VAL . 3.7 mt-10 -53.49 -23.43 10.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.927 -0.578 . . . . 72.03 111.467 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 81' ' ' VAL . 11.2 p -75.41 108.49 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.287 -0.415 . . . . 70.23 110.913 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.74 151.6 37.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 72.21 111.258 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.2 mt -135.5 143.22 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 64.22 110.999 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.644 ' HA ' ' HG3' ' A' ' 26' ' ' GLU . 18.6 mm-40 -115.58 147.16 41.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 55.3 111.359 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.8 -31.75 6.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.823 -0.703 . . . . 74.03 112.331 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.06 108.54 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 70.14 110.998 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.78 104.81 52.43 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.991 -0.549 . . . . 74.1 110.618 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.54 23.07 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.369 2.046 . . . . 70.12 112.889 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -71.15 -34.2 70.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.975 0.417 . . . . 73.11 110.753 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.71 -25.35 66.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.967 -0.56 . . . . 74.42 111.067 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.85 98.92 8.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 51.34 110.887 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.043 -0.526 . . . . 74.24 111.11 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ttm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.726 0.298 . . . . 74.34 111.376 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.7 112.51 0.26 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.477 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 m -140.09 163.37 32.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 63.22 111.071 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -71.49 119.34 15.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.031 -0.531 . . . . 75.15 110.987 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.436 HG23 ' C ' ' A' ' 15' ' ' ALA . 5.9 m -91.84 119.34 31.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.988 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.5 pt -82.32 179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.163 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 10.8 t80 -112.19 96.69 6.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.518 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 19.3 t -59.21 150.23 26.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.26 -0.427 . . . . 65.22 110.789 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.567 HG22 HD13 ' A' ' 35' ' ' ILE . 14.3 t -101.51 -22.05 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.334 . . . . 73.23 110.892 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 75' ' ' LEU . 29.3 t80 -74.16 -47.71 34.06 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.824 -0.435 . . . . 73.04 109.824 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.542 HD21 HE21 ' A' ' 42' ' ' GLN . 3.8 mt -89.02 -17.39 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.664 -0.698 . . . . 73.11 110.891 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 62.5 39.98 11.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 71.4 110.215 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -138.91 -169.63 2.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.769 -0.65 . . . . 73.2 110.109 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 2.4 tt0 -109.84 113.94 27.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.442 -0.344 . . . . 65.42 110.679 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' C ' HG23 ' A' ' 5' ' ' THR . . . -134.5 168.41 19.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 54.41 111.541 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -55.88 167.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.893 -0.594 . . . . 72.43 111.062 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.32 152.69 17.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.678 -0.772 . . . . 53.22 112.371 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 32' ' ' TYR . 10.2 mp0 -69.47 161.43 29.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 62.42 110.89 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -90.89 -34.29 15.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 63.02 110.963 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -139.73 153.26 47.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 75.5 111.144 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' OE1' ' HG3' ' A' ' 29' ' ' LYS . 10.4 tt0 -68.13 118.77 11.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 75.54 110.948 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.674 HD12 ' NE1' ' A' ' 40' ' ' TRP . 13.5 mt -81.21 -34.03 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 71.53 110.42 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.616 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -98.16 165.23 15.69 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 71.5 109.923 179.185 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 10.9 Cg_endo -94.31 -172.38 0.28 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 123.033 2.489 . . . . 65.33 113.595 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 42.47 -142.86 1.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.255 -0.884 . . . . 62.31 114.116 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -80.9 -38.4 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.527 -0.337 . . . . 61.3 111.183 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.895 HD12 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -50.27 -54.32 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 70.03 110.659 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.801 ' HA2' HD12 ' A' ' 31' ' ' ILE . . . -57.85 -31.52 64.61 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.173 -1.013 . . . . 70.33 111.549 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -63.1 -55.57 24.26 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.161 -0.311 . . . . 74.43 110.161 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 12.2 ptp180 -60.46 -40.77 92.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.162 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.895 HD11 HD12 ' A' ' 27' ' ' LEU . 10.1 mt -60.88 -62.99 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 CA-C-O 121.539 0.685 . . . . 73.55 109.693 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -56.87 -18.36 12.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.844 -1.071 . . . . 75.01 110.703 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.8 m-80 -96.9 -58.85 1.93 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.005 0.742 . . . . 73.34 113.005 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 5.7 mm-40 -94.89 -17.46 22.02 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.01 0.745 . . . . 71.44 113.01 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.567 HD13 HG22 ' A' ' 9' ' ' THR . 22.1 mm -103.26 100.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.185 0.517 . . . . 72.42 111.337 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 m -64.15 172.11 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.592 -0.731 . . . . 70.31 110.768 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -31.03 71.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.313 -0.403 . . . . 71.22 111.045 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HB3' HD11 ' A' ' 11' ' ' LEU . 2.1 tt0 -61.69 -41.0 96.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 72.33 110.785 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' HB3' HG23 ' A' ' 35' ' ' ILE . . . -79.82 -43.67 21.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.056 -0.52 . . . . 63.44 111.104 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.696 ' CZ3' HG21 ' A' ' 31' ' ' ILE . 39.8 t-105 -55.43 -35.51 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.975 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.0 -50.7 69.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 53.14 110.118 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.542 HE21 HD21 ' A' ' 11' ' ' LEU . 9.2 mt-30 -54.88 -36.12 64.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 75.14 110.324 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.721 ' CZ2' HD12 ' A' ' 67' ' ' LEU . 36.7 t-105 -68.92 -58.31 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 55.12 110.699 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.18 -42.56 14.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.304 -0.407 . . . . 74.45 110.751 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -66.5 -31.91 72.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.054 -0.521 . . . . 61.45 110.141 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 4.3 tptp -83.07 -26.54 31.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.99 -0.55 . . . . 74.13 110.207 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' TRP . 4.8 tt0 -66.57 -50.01 64.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.502 . . . . 75.45 110.811 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.4 t -56.74 -43.47 80.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.593 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 46' ' ' LYS . 6.4 ptp -70.86 -38.54 73.14 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 121.117 -0.233 . . . . 74.2 111.137 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.648 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 31.9 mt -58.4 -42.31 86.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.0 0.429 . . . . 72.5 110.323 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.746 HG23 ' HB2' ' A' ' 56' ' ' LEU . 85.4 mt -69.94 -36.78 70.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.081 -0.509 . . . . 73.01 111.592 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -73.27 -48.1 37.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.416 -0.356 . . . . 75.53 111.105 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.65 -53.81 14.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.473 -0.33 . . . . 72.53 110.96 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.21 -15.06 61.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.797 0.332 . . . . 71.11 110.854 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 66.5 62.54 0.54 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.284 -0.416 . . . . 74.11 110.961 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.746 ' HB2' HG23 ' A' ' 51' ' ' ILE . 63.6 mt -91.97 -170.45 2.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.505 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.88 101.59 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 70.12 110.79 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.712 ' CE ' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -58.9 -18.31 32.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 34.55 111.462 -179.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtm -79.29 -19.44 50.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 74.53 110.698 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -102.83 118.81 37.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 73.54 110.66 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 65' ' ' LYS . . . -55.71 -27.78 52.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 75.0 111.208 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -65.97 -36.67 83.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.41 -0.359 . . . . 72.21 110.792 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -85.45 -42.78 14.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.226 -0.443 . . . . 60.41 110.856 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.545 ' HD2' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -51.94 -43.11 63.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 71.4 110.556 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -64.48 -24.09 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 61.24 110.317 179.192 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.615 HD22 HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -59.78 -48.66 80.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.236 -0.438 . . . . 65.44 110.379 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.721 HD12 ' CZ2' ' A' ' 43' ' ' TRP . 3.8 mm? -53.92 -47.13 71.51 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.439 -0.578 . . . . 63.34 109.439 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.499 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 6.4 tt0 -55.32 -23.7 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.533 -0.758 . . . . 75.24 110.183 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.44 -50.0 10.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.993 -0.549 . . . . 75.11 110.892 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.19 -32.74 67.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 62.35 111.079 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.546 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -53.44 -48.28 68.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.494 -0.321 . . . . 72.11 110.707 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.814 HG13 ' HB2' ' A' ' 76' ' ' PHE . 93.3 t -52.1 -57.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 73.42 110.639 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -52.92 -19.25 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.18 -0.463 . . . . 64.34 111.112 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.445 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 36.4 t80 -94.78 -52.36 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.637 0.256 . . . . 74.22 111.352 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -102.2 -45.95 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.499 0.555 . . . . 74.13 112.499 -178.642 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.814 ' HB2' HG13 ' A' ' 72' ' ' VAL . 48.6 m-85 -96.43 28.65 3.22 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.577 0.584 . . . . 73.34 112.577 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -66.09 36.54 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 111.892 0.33 . . . . 71.23 111.892 -179.55 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 76' ' ' PHE . . . -124.62 -16.79 2.99 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.889 -0.484 . . . . 72.21 111.889 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.25 59.46 1.73 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.091 0.472 . . . . 73.2 110.106 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.4 113.07 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.576 . . . . 72.03 111.557 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.7 t -82.05 138.64 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 116.142 -0.481 . . . . 70.23 111.025 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -106.67 172.73 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 72.21 110.948 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.572 HD12 ' H ' ' A' ' 83' ' ' ILE . 3.9 mp -80.74 142.89 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 64.22 111.43 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -126.29 136.36 52.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 55.3 110.915 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.6 40.11 2.61 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.728 -0.749 . . . . 74.03 112.501 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -95.93 117.9 31.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 70.14 110.677 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.9 p -133.65 92.04 24.33 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 74.1 111.315 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.02 112.02 3.46 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.462 2.108 . . . . 70.12 112.19 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -70.17 -32.21 70.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 73.11 111.281 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -175.73 -43.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 74.42 110.985 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.69 77.28 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 51.34 110.724 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 74.24 111.213 -179.719 . . . . . . . . 1 1 . 1 stop_ save_