data_2khv_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 2khv _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 ' 1' ' ' MET . . . . . . . . . . . . . 44.0 tpp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p -95.62 170.12 9.55 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.49 -36.88 83.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.867 0.365 . . . . 0.0 110.064 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 t -63.57 -43.65 96.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.241 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 38.7 mt-10 -64.7 -49.47 70.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.078 0.466 . . . . 0.0 111.056 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 t -65.46 -39.94 92.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.938 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.41 85.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.523 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.32 75.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.995 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 92.7 mt -67.63 -41.2 84.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.38 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -56.83 -46.78 81.47 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.38 0.609 . . . . 0.0 109.737 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.43 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 97.0 mt -59.63 -48.57 86.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.08 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.466 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 60.6 mttm -60.57 -40.46 91.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.635 0.255 . . . . 0.0 111.658 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.68 -4.72 24.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.775 0.321 . . . . 0.0 111.735 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -128.71 9.97 5.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.83 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 18.6 mmm180 -59.67 -39.44 84.5 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.208 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -59.33 -34.96 72.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.078 0.466 . . . . 0.0 111.165 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 m -82.19 -15.96 51.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.713 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.0 m0 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.98 -174.578 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 21.0 mtpt . . . . . 0 N--CA 1.457 -0.112 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.496 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 69.0 m-70 -62.92 -42.23 99.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.22 84.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.23 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.61 -45.61 86.13 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.406 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -58.26 -42.16 85.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.462 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.496 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 23.6 m95 -60.29 -51.53 69.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.719 0.295 . . . . 0.0 110.394 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -61.14 -48.8 79.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.992 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.4 -46.82 84.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.992 -173.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m -60.93 -48.1 83.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.811 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.43 -44.6 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.791 -178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HB3' ' HZ2' ' A' ' 32' ' ' LYS . 4.1 ttpm? -59.62 -34.91 73.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.5 m -82.37 -53.03 6.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.821 -175.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -79.32 -49.24 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -95.37 -15.97 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.329 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 32' ' ' LYS . . . -54.64 -64.62 4.16 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.877 -0.601 . . . . 0.0 114.108 -175.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.0 -7.93 14.74 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.783 2.322 . . . . 0.0 113.473 -176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 t -107.57 -71.61 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 0.0 111.442 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.9 pt -107.23 -0.4 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.531 -174.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.52 -63.59 4.78 Favored Glycine 0 CA--C 1.522 0.488 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.321 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.87 5.17 5.86 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.662 2.241 . . . . 0.0 112.988 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 39' ' ' ILE . 85.9 mt -87.92 155.59 19.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.526 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 39.5 t -63.86 137.76 58.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.573 0.225 . . . . 0.0 110.448 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.18 -18.87 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.398 0.618 . . . . 0.0 110.13 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.859 HE21 ' HA ' ' A' ' 87' ' ' ARG . 32.8 tt0 -85.03 -32.05 23.11 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.185 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.526 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 4.1 m-20 -91.24 10.2 28.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.919 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 43' ' ' SER . 96.3 t -70.23 120.74 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -115.18 163.59 15.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.99 0.424 . . . . 0.0 111.094 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -61.14 -37.83 84.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.567 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 7.8 ttmm -58.16 -45.37 87.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.2 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 55' ' ' VAL . 79.5 mt -63.77 -41.69 97.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.847 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 93' ' ' ALA . 60.8 mt -68.11 -43.12 85.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.844 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 72.8 mtm -64.89 -34.18 77.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.056 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 55.9 mtpt -60.83 -37.1 80.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.048 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 59' ' ' ILE . 40.2 t -77.25 -49.27 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.1 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.38 -36.0 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -171.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.644 ' HA ' ' HD1' ' A' ' 60' ' ' TRP . 7.7 t70 -56.93 -52.79 71.3 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -173.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 52.0 Cg_exo -52.66 -38.01 75.82 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.262 1.974 . . . . 0.0 112.663 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 55' ' ' VAL . 57.3 mt -67.61 -33.09 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.332 -175.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.644 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 91.5 m95 -57.37 -34.34 68.74 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 111.41 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -67.11 -44.8 79.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.542 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -91.79 -53.24 4.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.015 -175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -133.65 79.55 58.8 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.795 -173.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.21 -32.9 50.99 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.364 2.043 . . . . 0.0 111.744 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.52 -43.67 93.31 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.274 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.8 m -68.83 -37.65 79.32 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.731 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.48 97.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.604 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.0 m -63.85 -45.24 90.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.639 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -67.19 -40.32 86.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.891 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 74' ' ' ILE . 56.5 tp -67.82 -37.82 82.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.685 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.455 ' O ' ' HD2' ' A' ' 71' ' ' ARG . 2.6 tmm_? -59.22 -40.95 87.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.85 -38.9 96.8 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.289 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -64.78 -43.72 92.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.583 0.23 . . . . 0.0 110.777 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 70' ' ' LEU . 68.8 mt -60.54 -41.55 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.601 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -47.79 84.11 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.476 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.8 m -62.81 -40.47 97.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.913 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.62 -47.49 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.051 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.498 HD11 ' HD2' ' A' ' 92' ' ' PRO . 85.3 mt -67.05 -34.17 77.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.278 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 83' ' ' VAL . 10.1 t70 -62.27 -46.4 88.96 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.415 ' CZ2' ' HG3' ' A' ' 84' ' ' ARG . 90.7 t90 -61.44 -44.71 96.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.461 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -36.7 77.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.396 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.4 m -66.6 -43.11 85.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.74 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 79' ' ' ASP . 59.8 t -65.61 -42.83 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.073 0.463 . . . . 0.0 110.658 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.415 ' HG3' ' CZ2' ' A' ' 80' ' ' TRP . 9.6 mmm180 -69.28 -25.58 64.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.701 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.24 56.51 1.57 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.136 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -123.08 8.46 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.859 ' HA ' HE21 ' A' ' 45' ' ' GLN . 8.2 ptm85 -167.92 -39.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 121.205 -0.198 . . . . 0.0 111.502 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.47 177.65 0.08 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.48 0.712 . . . . 0.0 112.397 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.19 -126.26 7.3 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.814 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -137.49 -176.03 4.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -101.08 143.13 26.0 Favored Pre-proline 0 N--CA 1.441 -0.917 0 CA-C-O 120.93 0.395 . . . . 0.0 111.886 -172.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.498 ' HD2' HD11 ' A' ' 78' ' ' LEU . 69.3 Cg_endo -78.37 -13.19 15.27 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.595 2.196 . . . . 0.0 111.739 175.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -98.76 6.83 46.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.557 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -66.88 -54.19 24.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.101 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 67.25 119.98 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.605 0.717 . . . . 0.0 112.271 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -88.98 9.03 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.742 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 150.68 84.81 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.074 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -91.24 157.06 17.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 123.096 0.558 . . . . 0.0 111.458 -175.15 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 ttm . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.127 0.489 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 47.9 p -83.84 171.28 13.25 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.048 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -67.09 -34.55 77.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -59.26 -47.22 86.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.185 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 38.5 mt-10 -63.85 -49.72 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.213 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.1 -49.35 72.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.249 -175.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 11' ' ' ILE . . . -57.71 -44.29 85.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.821 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.36 94.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.318 . . . . 0.0 110.689 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 82.0 mt -63.29 -43.08 98.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.654 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -60.71 -46.95 88.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.568 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.686 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 91.1 mt -58.41 -44.72 89.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.83 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 86.1 mttt -71.02 -37.86 72.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.636 0.255 . . . . 0.0 111.206 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.39 -40.45 64.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.594 -176.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -103.85 12.93 33.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.742 0.306 . . . . 0.0 111.042 -173.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.686 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 16.3 ptm180 -67.29 -30.51 70.39 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.608 -177.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -74.82 -14.44 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.165 0.507 . . . . 0.0 110.626 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -83.2 -12.53 56.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.414 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.7 m0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.78 179.566 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.209 0.528 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -62.34 -31.82 72.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.706 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.9 76.21 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.89 0.376 . . . . 0.0 110.623 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.54 -45.52 65.36 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.202 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -58.42 -31.32 67.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.455 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.568 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 16.5 m95 -77.11 -52.71 8.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.871 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.5 m -65.7 -46.97 76.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.98 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -55.25 -49.33 72.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.705 -175.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 p -73.45 -41.28 63.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.584 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.95 -39.83 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.637 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.96 -37.41 76.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.97 0.414 . . . . 0.0 110.553 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.1 m -81.1 -52.02 7.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.033 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.53 -50.22 11.96 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.8 m -92.07 -24.24 19.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.09 -64.48 3.53 Favored Glycine 0 CA--C 1.525 0.709 0 O-C-N 123.648 0.592 . . . . 0.0 114.105 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.98 -16.06 40.51 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.567 2.178 . . . . 0.0 113.384 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.563 HG12 HG23 ' A' ' 55' ' ' VAL . 40.5 t -91.9 -68.05 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.409 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.512 ' HA ' HD13 ' A' ' 42' ' ' LEU . 24.1 pt -113.95 5.39 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.476 -175.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.4 -63.96 4.61 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.295 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.39 1.18 8.66 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.77 2.313 . . . . 0.0 113.031 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.512 HD13 ' HA ' ' A' ' 39' ' ' ILE . 82.1 mt -83.69 146.27 28.31 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 20.7 t -65.01 146.21 55.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.871 0.367 . . . . 0.0 110.513 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -64.95 -21.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.307 0.575 . . . . 0.0 109.605 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -72.58 -39.69 67.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.368 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 43' ' ' SER . 27.9 m-20 -73.75 -16.09 61.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -174.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.455 ' HB ' ' NH2' ' A' ' 87' ' ' ARG . 62.1 t -59.0 111.15 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.113 0.482 . . . . 0.0 110.892 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 52' ' ' ILE . 10.9 t70 -122.25 165.51 16.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.357 -176.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.459 ' O ' ' HG3' ' A' ' 53' ' ' MET . 1.2 m -53.89 -42.68 68.93 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.704 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.63 -44.93 96.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.152 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 55' ' ' VAL . 84.2 mt -67.91 -42.13 81.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.334 -176.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 48' ' ' ASP . 64.0 mt -59.64 -40.51 82.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.841 0.353 . . . . 0.0 110.589 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 49' ' ' THR . 65.6 mtt -59.53 -40.17 86.31 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.477 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.982 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 8.9 mmpt? -70.14 -37.26 75.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.563 HG23 HG12 ' A' ' 38' ' ' VAL . 48.7 t -61.38 -44.66 98.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.171 0.51 . . . . 0.0 110.425 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.4 mt -79.1 -24.48 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.123 -175.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.538 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 5.3 t0 -48.61 -57.79 10.03 Favored Pre-proline 0 N--CA 1.47 0.564 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -173.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 69.7 Cg_endo -73.55 -14.7 24.82 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.012 1.808 . . . . 0.0 111.972 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mm -79.59 -35.01 16.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.359 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -59.66 -25.64 64.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 111.524 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.52 -30.84 33.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.515 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -100.61 -51.45 3.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.435 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.37 80.15 40.43 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.076 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.44 -51.64 7.01 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.822 2.348 . . . . 0.0 113.037 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 3.7 mp0 -62.27 -39.42 92.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 120.877 0.37 . . . . 0.0 110.503 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.3 m -66.67 -36.26 82.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.813 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.11 -41.7 88.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.122 0.487 . . . . 0.0 110.258 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 m -68.26 -43.17 78.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.541 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 44.0 mtp180 -66.75 -41.01 88.48 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' HG13 ' A' ' 74' ' ' ILE . 68.0 tp -63.0 -43.7 98.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.065 177.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -59.16 -38.77 80.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.144 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.13 -39.67 97.46 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.036 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.568 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 66.3 mtm180 -71.36 -37.52 71.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.839 0.352 . . . . 0.0 110.263 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 70' ' ' LEU . 74.2 mt -60.62 -40.82 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.116 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.67 -44.29 81.25 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.831 176.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.21 -39.69 95.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.515 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.72 -49.28 71.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.938 0.399 . . . . 0.0 110.759 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.55 -32.01 72.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.55 -47.56 85.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.246 0.546 . . . . 0.0 109.625 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -61.21 -43.91 98.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.294 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -60.39 -36.42 78.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.1 m -66.27 -44.21 84.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.61 -36.68 75.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.677 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.49 -24.95 63.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.705 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.89 26.31 13.05 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.49 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.409 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 15.3 m-85 -88.18 -6.28 57.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.272 0.558 . . . . 0.0 109.674 177.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.455 ' NH2' ' HB ' ' A' ' 47' ' ' VAL . 6.2 ptp180 -161.29 166.9 26.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.201 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.68 169.18 17.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.866 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.97 -123.56 7.88 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.707 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -125.93 170.5 11.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.436 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 58.7 t30 -101.36 91.95 2.39 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 0.0 111.193 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 37.9 Cg_endo -62.01 5.19 0.23 Allowed 'Trans proline' 0 N--CA 1.481 0.779 0 C-N-CA 124.338 3.359 . . . . 0.0 114.705 -171.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.54 -23.51 20.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -82.37 -48.23 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -174.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 67.36 144.29 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.568 0.699 . . . . 0.0 112.656 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -87.01 -30.58 21.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.661 0.743 . . . . 0.0 109.547 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.23 94.16 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.378 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -60.0 -63.2 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.316 . . . . 0.0 110.928 -174.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 121.117 0.484 . . . . 0.0 111.026 -178.411 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.96 0.41 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 55.9 p -96.45 169.05 10.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.158 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.89 -43.03 99.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.491 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.1 m -60.92 -46.82 89.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.037 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.6 mt-10 -61.12 -47.06 88.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.129 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' SG ' ' HB3' ' A' ' 81' ' ' ALA . 11.9 t -63.98 -46.6 83.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.774 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.29 77.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.391 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -59.72 -41.92 91.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.255 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 93.0 mt -61.07 -44.77 96.87 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.977 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -57.94 -47.12 83.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.383 0.611 . . . . 0.0 110.044 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -59.96 -48.84 86.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.033 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 92.9 mttt -62.15 -39.15 91.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.316 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.91 -25.46 65.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.949 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -123.21 20.09 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.859 0.362 . . . . 0.0 111.048 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.441 ' HD2' ' HA ' ' A' ' 12' ' ' LYS . 8.8 ptm180 -75.37 -31.2 60.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.162 -173.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m -70.7 -22.62 62.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.147 0.499 . . . . 0.0 110.91 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -80.06 -24.28 40.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.84 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.9 m0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.441 176.457 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HB3' ' HE3' ' A' ' 22' ' ' LYS . 29.1 mtpp . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.83 0.348 . . . . 0.0 111.835 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.445 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 85.0 m-70 -64.29 -39.03 93.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.023 175.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.9 82.44 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.968 0.414 . . . . 0.0 110.55 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 9.9 t70 -62.44 -51.88 65.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.689 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.454 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 14.6 mm-40 -60.41 -38.49 84.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.924 -177.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.445 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 11.5 m95 -58.14 -51.26 70.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.39 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -69.1 -45.9 69.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.882 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 25' ' ' ASP . 8.7 t-20 -57.51 -44.28 84.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.706 -172.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 m -70.04 -50.16 44.04 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.857 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.28 -40.58 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.008 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -58.81 -37.07 75.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.425 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -81.88 -54.38 5.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.044 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.01 -50.16 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.6 m -85.98 -28.79 24.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.549 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.554 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -45.5 -63.92 2.55 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.658 -0.701 . . . . 0.0 114.34 -177.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.86 -17.72 14.54 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.052 2.501 . . . . 0.0 114.388 -176.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.9 t -117.43 -76.91 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.819 -176.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.527 ' HA ' HD13 ' A' ' 42' ' ' LEU . 34.9 pt -93.0 -2.64 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -171.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.65 -63.24 5.5 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.244 -0.503 . . . . 0.0 113.214 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 4.7 Cg_exo -77.8 5.31 5.37 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.933 2.422 . . . . 0.0 112.832 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 39' ' ' ILE . 72.6 mt -83.86 145.14 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.522 ' O ' HG22 ' A' ' 47' ' ' VAL . 8.9 m -59.26 139.95 56.47 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 122.769 0.428 . . . . 0.0 111.016 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.85 -15.4 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 121.698 0.761 . . . . 0.0 110.538 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -86.78 -21.79 26.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.475 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -93.88 -31.28 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.118 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.545 ' HA ' HD13 ' A' ' 51' ' ' LEU . 92.5 t -53.34 110.5 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.86 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.9 174.32 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.766 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.595 ' O ' ' HG3' ' A' ' 53' ' ' MET . 4.8 m -66.37 -37.08 84.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.381 173.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -54.54 -46.55 73.62 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.055 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' A' ' 47' ' ' VAL . 76.2 mt -65.3 -40.4 93.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.785 -177.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.549 HG23 HH11 ' A' ' 71' ' ' ARG . 82.9 mt -69.51 -33.99 59.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.31 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.2 mtt -54.78 -43.76 73.12 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 110.754 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.75 -38.01 89.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.016 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.66 -38.66 76.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.838 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.495 HD13 ' HD3' ' A' ' 71' ' ' ARG . 74.9 mt -77.53 -23.17 50.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.179 -175.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.57 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 15.1 t70 -45.23 -57.28 7.6 Favored Pre-proline 0 N--CA 1.472 0.657 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -175.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 56.0 Cg_endo -71.04 -10.5 27.63 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.194 1.929 . . . . 0.0 112.704 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.419 HD12 HD23 ' A' ' 56' ' ' LEU . 48.1 mt -88.56 -34.92 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.742 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -59.19 -31.23 68.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -70.61 -31.85 68.99 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 62' ' ' GLN . 12.6 mm-40 -93.52 -61.54 1.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.169 -175.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -145.93 87.11 6.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.898 -169.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.26 -35.26 98.87 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.819 2.346 . . . . 0.0 112.322 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -66.08 -38.66 88.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.977 0.417 . . . . 0.0 110.715 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.4 m -66.6 -36.94 83.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.173 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.29 98.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.1 m -62.97 -41.17 99.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.765 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.31 -32.47 73.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 74' ' ' ILE . 48.4 tp -69.08 -44.56 72.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.734 ' CZ ' ' HA ' ' A' ' 93' ' ' ALA . 12.3 mmm180 -63.87 -36.31 83.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.454 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.08 -39.49 97.18 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.911 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -71.51 -37.86 71.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.659 0.266 . . . . 0.0 110.792 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 70' ' ' LEU . 77.5 mt -63.16 -38.52 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.376 175.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.11 -48.1 71.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.624 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.2 m -62.4 -45.05 94.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.278 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.24 -49.36 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.287 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.491 HD13 ' HD2' ' A' ' 92' ' ' PRO . 81.7 mt -66.83 -36.87 83.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.369 -176.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.04 -42.41 63.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.66 -46.06 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.078 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . . . -60.27 -35.59 75.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.081 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.491 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 49.0 m -65.8 -46.17 79.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.279 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.03 -39.58 84.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.985 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -73.18 -25.83 60.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.508 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.07 32.72 8.19 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.376 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -93.82 2.35 56.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.209 0.528 . . . . 0.0 110.156 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -167.46 -174.55 2.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.135 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -95.26 173.19 7.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.542 0.21 . . . . 0.0 110.622 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.491 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -83.29 110.76 3.31 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.942 -0.646 . . . . 0.0 113.859 -171.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -177.17 149.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.872 0.469 . . . . 0.0 110.012 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -121.7 88.09 46.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.491 ' HD2' HD13 ' A' ' 78' ' ' LEU . 16.2 Cg_exo -69.05 6.93 0.9 Allowed 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 123.544 2.83 . . . . 0.0 113.106 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.734 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -92.27 0.56 57.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -81.82 160.66 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.389 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.57 ' HZ2' ' HG2' ' A' ' 53' ' ' MET . 0.0 OUTLIER -159.71 118.77 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.723 0.297 . . . . 0.0 111.153 177.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -111.68 -15.76 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.048 175.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.79 98.4 0.18 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.789 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -146.94 -42.84 0.18 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.117 0.484 . . . . 0.0 110.116 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.691 -177.865 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 tpp . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.3 p -89.34 167.92 12.66 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.468 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -64.94 -42.7 94.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.197 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.1 m -62.52 -46.19 89.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.3 mt-10 -62.59 -48.05 81.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.07 -43.89 97.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.611 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.97 88.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.717 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.84 86.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.032 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 91.1 mt -62.34 -43.27 99.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.468 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.3 -44.19 92.53 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.03 0.443 . . . . 0.0 110.472 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.454 HD12 ' OG1' ' A' ' 28' ' ' THR . 92.5 mt -63.93 -46.18 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.3 mttt -70.91 -33.87 70.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.25 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.16 73.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.896 0.379 . . . . 0.0 110.469 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -105.73 14.75 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.856 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 19.7 ptt180 -64.95 -33.05 75.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 110.142 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -67.94 -34.32 76.37 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.174 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 m -73.27 -35.2 66.14 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.25 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.7 m0 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.95 -178.638 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.972 0.891 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -54.83 -34.01 62.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 113.888 -1.506 . . . . 0.0 110.826 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.14 -47.0 66.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.118 0.485 . . . . 0.0 111.126 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.59 -46.2 80.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.752 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.85 -39.53 81.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.361 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.584 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 2.0 m95 -60.6 -49.21 78.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.614 175.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.454 ' OG1' HD12 ' A' ' 11' ' ' ILE . 12.9 m -60.31 -49.39 77.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.595 -178.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.57 -48.91 79.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.483 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -63.09 -44.21 96.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.78 0.324 . . . . 0.0 111.305 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.47 -43.7 94.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.771 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -64.13 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -80.29 -53.73 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.903 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -80.55 -50.15 10.38 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.7 m -82.79 -25.35 32.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.498 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.467 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -47.76 -65.82 2.25 Favored Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.73 0.644 . . . . 0.0 114.292 -175.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.91 -25.01 74.18 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.731 2.288 . . . . 0.0 114.211 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 t -95.36 -51.22 11.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -172.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.439 ' HA ' HD13 ' A' ' 42' ' ' LEU . 28.1 pt -129.31 5.48 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.79 -64.84 3.84 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 116.388 -0.369 . . . . 0.0 113.752 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 3.4 Cg_exo -76.68 5.34 4.88 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.747 2.298 . . . . 0.0 112.585 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 39' ' ' ILE . 69.1 mt -86.47 159.63 19.25 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.574 ' OG ' ' HG2' ' A' ' 45' ' ' GLN . 15.2 t -64.87 142.06 58.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.533 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 ' HD2' ' A' ' 87' ' ' ARG . 14.5 p -64.53 -23.22 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.181 0.515 . . . . 0.0 110.585 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.574 ' HG2' ' OG ' ' A' ' 43' ' ' SER . 3.7 pt20 -87.96 -17.68 30.74 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -89.75 -17.11 28.86 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.873 0.368 . . . . 0.0 111.503 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.531 ' HA ' HD11 ' A' ' 51' ' ' LEU . 97.4 t -69.67 115.23 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.637 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -113.67 173.32 6.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.881 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -60.38 -37.42 80.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 33.0 ttmt -54.5 -45.34 73.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.746 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 47' ' ' VAL . 87.4 mt -67.67 -40.86 84.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.751 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.532 HG21 HH22 ' A' ' 71' ' ' ARG . 79.1 mt -64.19 -41.61 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.592 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.24 -34.6 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.654 0.264 . . . . 0.0 110.935 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 55.9 mtpt -65.42 -38.0 88.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.682 177.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 51' ' ' LEU . 44.6 t -70.07 -46.01 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.232 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.87 -31.91 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.583 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 15.1 t70 -49.93 -57.23 13.12 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -174.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 46.7 Cg_endo -70.0 -14.28 35.12 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.177 1.918 . . . . 0.0 113.116 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mt -77.11 -34.96 22.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.213 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -61.25 -28.52 69.23 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.122 0.487 . . . . 0.0 110.668 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.45 -39.11 91.64 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.018 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -101.7 -54.48 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.157 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -139.51 84.99 15.46 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.008 -171.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.37 -39.46 66.64 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.892 2.395 . . . . 0.0 113.225 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.65 -38.68 84.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.187 0.518 . . . . 0.0 110.057 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -67.76 -35.82 79.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.336 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.98 99.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.577 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 m -65.22 -42.4 93.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.617 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 95.9 mtt180 -65.39 -45.46 83.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.118 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.32 -34.85 78.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.365 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.676 ' NH2' ' HA ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -56.45 -49.31 74.97 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.523 -179.238 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.09 91.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.517 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.584 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 98.1 mtt180 -61.56 -46.54 89.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.2 mt -59.41 -40.85 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.612 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.67 -47.44 86.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.396 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.3 m -62.08 -41.87 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.198 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.31 -47.75 71.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.328 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.479 HD12 ' HG2' ' A' ' 92' ' ' PRO . 70.1 mt -64.24 -39.74 94.57 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.4 -46.29 90.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.243 0.544 . . . . 0.0 109.616 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -58.87 -51.12 71.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.749 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.27 73.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.769 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 26.9 m -67.59 -38.74 84.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.899 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.8 t -77.96 -33.62 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -71.46 -25.21 62.2 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.593 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.14 24.01 8.75 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.957 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -94.11 -12.06 29.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.134 0.492 . . . . 0.0 110.181 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' HD2' HG22 ' A' ' 44' ' ' VAL . 8.5 ptm180 -164.18 152.77 13.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.691 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -121.28 171.8 8.47 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.75 -146.88 16.5 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.614 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -105.03 -172.16 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.43 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 56.7 t-20 -103.16 94.7 5.84 Favored Pre-proline 0 C--N 1.322 -0.608 0 C-N-CA 123.067 0.547 . . . . 0.0 109.989 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.479 ' HG2' HD12 ' A' ' 78' ' ' LEU . 13.9 Cg_endo -54.08 -11.51 2.75 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.043 2.495 . . . . 0.0 113.543 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.676 ' HA ' ' NH2' ' A' ' 71' ' ' ARG . . . -86.83 -10.98 52.2 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.222 0.534 . . . . 0.0 110.909 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -81.16 133.51 35.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.52 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.558 ' C ' ' H ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -129.46 -41.39 1.37 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.864 -175.146 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 58.54 -29.95 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.215 1.006 . . . . 0.0 113.608 -170.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.558 ' H ' ' C ' ' A' ' 95' ' ' TRP . . . -142.09 87.76 0.18 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.464 ' HD1' ' H ' ' A' ' 98' ' ' TYR . 3.1 p90 -78.16 -173.38 3.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.318 0.118 . . . . 0.0 111.318 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 N--CA 1.471 0.612 0 C-N-CA 123.605 0.762 . . . . 0.0 112.803 -172.437 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttm . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.823 0.344 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.8 p -89.19 169.59 11.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.061 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.404 ' HA ' HG22 ' A' ' 44' ' ' VAL . 81.8 t80 -62.77 -40.24 96.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.789 0.328 . . . . 0.0 110.684 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m -61.92 -45.18 94.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 54.0 mt-10 -62.94 -47.25 84.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.871 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 44.4 t -61.93 -49.02 77.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.968 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.89 -45.97 74.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.864 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.3 85.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.059 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 83.0 mt -64.54 -45.47 87.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.732 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -58.83 -45.02 90.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.176 0.512 . . . . 0.0 110.091 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.466 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 94.8 mt -59.86 -49.26 84.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.963 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.485 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 58.3 mtpt -64.2 -34.93 79.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.791 0.329 . . . . 0.0 111.359 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -18.06 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.798 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -127.19 16.53 7.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.586 0.231 . . . . 0.0 111.201 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 17.3 mmt180 -56.16 -45.9 79.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.389 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 m -76.03 -20.05 58.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.141 0.496 . . . . 0.0 111.51 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.1 m -76.89 -40.71 46.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.057 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.466 ' CH2' ' HA ' ' A' ' 11' ' ' ILE . 11.6 m0 . . . . . 0 C--O 1.238 0.487 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.529 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt . . . . . 0 CA--C 1.528 0.12 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -62.4 -43.4 98.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.732 0.301 . . . . 0.0 110.464 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.79 88.7 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.278 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.63 -47.4 81.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.5 -36.63 78.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.048 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -64.4 -48.59 74.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.032 0.444 . . . . 0.0 110.78 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 m -69.24 -48.49 61.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.403 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -55.85 -49.29 73.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.714 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -60.98 -48.29 82.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.785 0.326 . . . . 0.0 111.274 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.15 -42.67 85.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.667 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -58.63 -39.34 80.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.205 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.5 m -82.28 -53.67 5.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.413 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -80.31 -49.58 11.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -173.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.9 m -79.66 -20.42 46.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.082 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.84 -65.22 3.34 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.74 -0.664 . . . . 0.0 114.044 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.85 -15.43 50.29 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.562 2.175 . . . . 0.0 113.325 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.505 HG11 HG21 ' A' ' 39' ' ' ILE . 22.9 t -95.2 -65.79 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.717 0.294 . . . . 0.0 111.379 -176.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.517 ' HA ' HD13 ' A' ' 42' ' ' LEU . 28.8 pt -123.77 5.13 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.691 -174.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.09 -63.84 4.8 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 116.187 -0.461 . . . . 0.0 114.01 -176.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.78 5.45 6.16 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.618 2.212 . . . . 0.0 113.214 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 39' ' ' ILE . 82.6 mt -84.59 158.47 20.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.452 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 44.1 t -55.82 135.3 51.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.065 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.847 HG23 HH21 ' A' ' 87' ' ' ARG . 3.2 p -73.5 -6.66 8.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.319 0.581 . . . . 0.0 109.913 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.66 ' HG3' ' HB2' ' A' ' 87' ' ' ARG . 9.9 tt0 -93.39 -26.17 17.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.149 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 22.9 m-20 -95.44 23.68 5.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.796 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.98 106.37 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 52' ' ' ILE . 46.8 m-20 -93.76 168.82 10.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.385 -177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 53' ' ' MET . 3.7 p -60.37 -45.19 94.42 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.025 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -55.94 -43.55 77.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.81 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.53 -42.47 95.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.187 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.523 ' HB ' ' HH2' ' A' ' 95' ' ' TRP . 62.2 mt -65.3 -37.35 79.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.494 ' HG2' ' HE1' ' A' ' 98' ' ' TYR . 67.7 mtt -59.72 -35.89 75.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.747 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.05 -37.46 78.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.174 177.685 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.81 -44.13 99.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.003 0.43 . . . . 0.0 110.458 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 59' ' ' ILE . 93.5 mt -76.33 -24.18 54.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.69 -177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.578 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.8 t70 -46.58 -59.73 4.69 Favored Pre-proline 0 N--CA 1.471 0.588 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.537 -174.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 80.5 Cg_endo -74.57 -11.11 22.29 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.086 1.858 . . . . 0.0 112.933 -175.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 56' ' ' LEU . 32.3 mt -76.75 -29.74 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.765 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -68.2 -14.97 63.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.065 0.46 . . . . 0.0 110.746 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -81.1 -27.44 35.59 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.66 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -104.35 -62.67 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.695 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -139.98 87.37 12.6 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 -173.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -50.86 -46.0 32.86 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.48 2.786 . . . . 0.0 113.779 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 48.2 mt-10 -65.45 -39.41 92.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.968 0.413 . . . . 0.0 110.865 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.2 m -67.93 -32.69 73.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.569 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.59 68.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.934 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.9 p -66.04 -34.87 79.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.444 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 68.7 mtp180 -73.59 -34.45 65.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.338 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.04 -38.72 89.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -60.02 -35.97 76.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.794 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.71 -37.16 93.09 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.977 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 77' ' ' VAL . 99.4 mtt180 -64.09 -49.07 73.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.0 mt -59.93 -44.85 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.112 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.9 -48.0 79.23 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.712 0.292 . . . . 0.0 110.432 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -63.93 -42.55 97.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.233 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 73' ' ' ARG . 95.6 t -66.27 -49.11 78.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 93' ' ' ALA . 21.5 mt -67.94 -40.14 83.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.228 -177.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.46 -38.41 80.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.259 0.552 . . . . 0.0 110.151 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.477 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 76.5 t90 -58.44 -51.24 70.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.435 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -67.46 -33.12 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -65.76 -42.69 90.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.3 t -70.16 -36.02 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.609 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 22.9 mmm-85 -67.17 -24.95 65.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.811 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.28 39.76 7.2 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.209 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -95.2 3.33 54.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.0 110.619 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.847 HH21 HG23 ' A' ' 44' ' ' VAL . 11.8 ptp85 -162.72 -174.69 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 9.5 tp10 -69.68 164.86 22.51 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.385 0.428 . . . . 0.0 109.944 172.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.83 -178.65 6.59 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 114.112 0.405 . . . . 0.0 114.112 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.2 t0 66.78 164.53 0.2 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.16 0.984 . . . . 0.0 112.005 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.466 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 44.3 t30 -134.91 90.91 20.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.655 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 11.6 Cg_endo -54.74 -18.22 15.39 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.361 2.707 . . . . 0.0 113.625 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.554 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -71.41 -18.8 62.32 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.041 0.448 . . . . 0.0 110.842 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -91.53 130.77 37.3 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.428 0.632 . . . . 0.0 109.824 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.523 ' HH2' ' HB ' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -125.27 -42.1 2.01 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.807 -175.411 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 58.63 -60.61 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.979 0.8 . . . . 0.0 111.239 -165.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.77 51.98 1.05 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.494 -0.384 . . . . 0.0 112.305 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.494 ' HE1' ' HG2' ' A' ' 53' ' ' MET . 59.8 t80 -72.03 -54.8 8.78 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.16 175.376 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 tpp . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.748 0.308 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.4 p -93.66 169.24 10.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -67.14 -40.24 86.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -58.34 -47.54 83.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.393 . . . . 0.0 110.996 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.522 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.1 mt-10 -63.4 -49.25 74.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.961 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 81' ' ' ALA . 9.7 t -64.09 -45.15 89.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.887 -175.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.02 92.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.538 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.21 95.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.763 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 95.1 mt -60.82 -43.46 98.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.82 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -59.5 -49.46 77.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.995 0.426 . . . . 0.0 110.761 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.7 mt -66.36 -48.4 81.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.436 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.0 mtpt -66.87 -33.84 76.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.548 -176.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.26 4.18 15.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 0.0 111.26 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -132.09 4.02 4.07 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.405 -0.185 . . . . 0.0 111.182 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 23.1 ptt180 -67.76 -27.57 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.474 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -70.98 -25.9 62.91 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.27 0.557 . . . . 0.0 110.387 176.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 m -84.27 -16.19 44.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.5 m0 . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.745 -179.049 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -54.31 -46.99 72.93 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.41 91.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.346 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.52 -44.11 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.54 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.86 -41.12 90.79 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.446 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -55.36 -48.72 73.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.006 0.432 . . . . 0.0 110.139 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -62.3 -50.83 70.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.113 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.44 -47.92 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.38 -173.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m -65.62 -50.22 65.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.787 0.327 . . . . 0.0 111.338 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.24 -42.86 88.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.116 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -58.96 -34.05 71.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.242 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.6 m -81.05 -52.39 7.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.879 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -78.8 -49.23 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -173.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.4 m -104.45 -10.33 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.703 -172.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.36 -65.53 3.34 Favored Glycine 0 CA--C 1.521 0.422 0 O-C-N 123.513 0.508 . . . . 0.0 113.597 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.31 -14.27 43.01 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.64 2.227 . . . . 0.0 113.001 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.592 HG11 HG23 ' A' ' 55' ' ' VAL . 33.0 t -91.8 -67.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.653 0.263 . . . . 0.0 111.268 -175.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.445 ' HA ' HD13 ' A' ' 42' ' ' LEU . 31.6 pt -114.45 3.12 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -173.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.55 -64.2 4.53 Favored Glycine 0 CA--C 1.524 0.602 0 CA-C-N 116.272 -0.422 . . . . 0.0 113.532 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.29 2.14 4.11 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.073 2.515 . . . . 0.0 113.243 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 39' ' ' ILE . 87.7 mt -86.17 161.16 18.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.8 m -66.94 131.99 47.02 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.516 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.643 HG23 ' HD2' ' A' ' 87' ' ' ARG . 14.4 p -64.73 -24.68 36.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.33 0.585 . . . . 0.0 111.092 -176.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.473 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 4.5 pt20 -78.19 -19.47 53.84 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.82 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.86 -5.71 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.157 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.32 111.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.056 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -126.79 168.66 14.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.174 -176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -34.17 64.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.868 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -58.37 -45.88 87.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.248 0.547 . . . . 0.0 110.927 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 55' ' ' VAL . 91.8 mt -71.46 -38.93 71.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.223 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.561 HG23 HH11 ' A' ' 71' ' ' ARG . 83.9 mt -63.75 -41.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.631 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.9 mtt -63.61 -43.94 95.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.804 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -38.3 83.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.813 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.592 HG23 HG11 ' A' ' 38' ' ' VAL . 57.8 t -67.44 -44.58 86.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.919 0.39 . . . . 0.0 110.881 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.839 HD11 ' HD2' ' A' ' 71' ' ' ARG . 72.2 mt -79.32 -23.84 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.489 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.587 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.8 t70 -42.09 -57.61 4.13 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -173.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 89.3 Cg_endo -76.18 -13.27 19.08 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.937 1.758 . . . . 0.0 113.074 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.9 mt -84.75 -36.01 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.856 -0.156 . . . . 0.0 111.226 -173.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.405 ' CZ2' HD12 ' A' ' 56' ' ' LEU . 78.1 m95 -57.54 -29.65 64.55 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.816 0.341 . . . . 0.0 111.068 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.55 -59.69 4.31 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.403 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -80.64 -55.49 4.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.607 -173.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HE2' ' OG1' ' A' ' 66' ' ' THR . 50.7 mtpt -135.02 79.73 50.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.909 0.385 . . . . 0.0 110.76 -174.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.6 -47.15 7.79 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.82 2.347 . . . . 0.0 112.906 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -64.88 -32.05 73.57 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 120.809 0.338 . . . . 0.0 111.366 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.477 ' OG1' ' HE2' ' A' ' 63' ' ' LYS . 7.9 m -70.32 -32.74 70.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.928 0.394 . . . . 0.0 110.404 177.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.715 ' HB2' HD22 ' A' ' 56' ' ' LEU . . . -62.64 -39.79 94.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.181 175.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.0 m -63.53 -39.44 94.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.459 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.61 -40.02 90.33 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.822 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.7 tp -72.71 -37.09 67.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.86 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.839 ' HD2' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -67.48 -38.99 85.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.201 -175.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.65 -34.03 84.69 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.59 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 77' ' ' VAL . 98.6 mtt180 -66.19 -49.53 66.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.401 . . . . 0.0 110.222 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.825 HD12 HH21 ' A' ' 71' ' ' ARG . 28.8 mt -65.19 -36.64 78.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.124 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -52.45 -47.48 66.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.06 0.457 . . . . 0.0 110.419 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -64.27 -37.54 87.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.074 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 73' ' ' ARG . 58.6 t -65.84 -48.8 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.708 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.72 -36.87 84.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.093 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.36 -47.43 70.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.569 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -58.88 -45.19 90.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.774 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . . . -61.14 -34.43 74.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.405 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 27.3 m -64.98 -42.85 94.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.512 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.02 -40.44 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.487 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -71.92 -25.7 62.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.923 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.89 4.46 54.38 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.845 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -71.66 -26.05 62.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.108 0.48 . . . . 0.0 110.383 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.643 ' HD2' HG23 ' A' ' 44' ' ' VAL . 7.2 ptm180 -147.82 150.78 34.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.01 160.71 33.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.975 0.417 . . . . 0.0 110.698 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.11 -120.78 3.0 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -175.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -138.68 -165.21 1.78 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.39 87.64 17.16 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-O 120.632 0.253 . . . . 0.0 110.402 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.34 -6.39 16.24 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.991 2.46 . . . . 0.0 113.088 -176.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.52 2.32 55.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.453 . . . . 0.0 110.592 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -87.93 -46.57 9.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.273 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 63.75 179.93 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.765 0.793 . . . . 0.0 112.608 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -125.57 27.51 6.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.017 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.07 -53.96 0.8 Allowed Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.652 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.535 ' CD2' ' HG ' ' A' ' 99' ' ' LEU . 60.5 t80 65.02 -79.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.562 0.745 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 98' ' ' TYR . 85.6 mt . . . . . 0 C--N 1.322 -0.629 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.523 ' O ' ' HA ' ' A' ' 43' ' ' SER . 47.7 tpp . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 68.6 p -87.54 162.17 17.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.54 -37.9 88.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 m -60.83 -46.06 92.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.582 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 29.1 mt-10 -62.44 -49.07 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.163 0.506 . . . . 0.0 111.243 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.403 ' HA ' HD12 ' A' ' 9' ' ' LEU . 7.2 t -64.56 -42.24 95.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.992 -176.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.77 99.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.668 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.41 81.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 95.3 mt -60.54 -49.39 77.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.654 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -57.67 -49.89 74.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.747 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.57 -49.32 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.458 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 37.2 ttpt -63.45 -34.7 78.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.707 0.289 . . . . 0.0 111.165 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.61 -14.87 62.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.444 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -116.57 -2.01 12.06 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 32.6 ptt180 -69.98 -27.84 65.04 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.155 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -67.81 -23.52 65.19 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.874 0.368 . . . . 0.0 111.219 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 t -81.6 -14.91 56.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.054 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.3 m0 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.876 -178.24 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.43 ' HE3' ' HB3' ' A' ' 22' ' ' LYS . 25.6 mtpp . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -66.6 -52.53 44.27 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.95 77.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.399 0.618 . . . . 0.0 110.072 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.32 -51.12 65.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.364 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.61 -38.46 90.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.775 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -55.04 -47.96 74.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.212 0.53 . . . . 0.0 110.1 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m -67.59 -50.49 58.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.955 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -55.26 -46.72 76.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.592 0.357 . . . . 0.0 111.503 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.1 m -63.55 -52.05 62.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.354 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.02 -41.83 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.092 0.472 . . . . 0.0 110.635 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.16 -36.11 74.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.719 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.5 m -79.84 -52.49 7.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.955 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -78.75 -45.63 20.68 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.5 m -95.41 -13.04 24.99 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.68 -172.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.41 -63.31 5.19 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-N 115.886 -0.597 . . . . 0.0 113.705 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -57.75 -26.22 72.26 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.981 2.454 . . . . 0.0 113.744 -176.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.0 t -95.41 -72.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 42' ' ' LEU . 25.4 pt -105.53 6.04 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 111.579 0.215 . . . . 0.0 111.579 -172.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -57.05 -64.91 3.97 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 116.091 -0.504 . . . . 0.0 113.596 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.05 0.28 10.01 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.489 2.126 . . . . 0.0 112.992 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 39' ' ' ILE . 79.3 mt -84.14 159.85 20.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 1' ' ' MET . 45.9 t -65.82 141.34 58.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.812 0.339 . . . . 0.0 110.416 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.599 HG22 ' HD2' ' A' ' 87' ' ' ARG . 10.3 p -65.18 -19.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.273 0.558 . . . . 0.0 110.118 176.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -84.48 -28.56 26.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.98 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 13.9 t70 -77.97 -22.54 49.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.037 -176.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 43' ' ' SER . 61.5 t -58.08 104.7 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 121.145 0.497 . . . . 0.0 110.748 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -106.95 166.59 10.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.699 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.408 HG22 ' HE3' ' A' ' 53' ' ' MET . 27.2 m -58.29 -36.9 74.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.227 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -62.06 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 0.0 110.099 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.508 ' O ' HG21 ' A' ' 55' ' ' VAL . 91.5 mt -67.87 -38.59 83.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.16 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.505 HG21 HH11 ' A' ' 71' ' ' ARG . 59.1 mt -57.86 -40.01 74.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.086 177.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.408 ' HE3' HG22 ' A' ' 49' ' ' THR . 67.5 mtt -63.28 -43.62 97.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -60.38 -38.15 83.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.112 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 51' ' ' LEU . 53.7 t -67.74 -41.05 84.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.362 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.804 HD12 ' HD2' ' A' ' 71' ' ' ARG . 35.6 mt -74.97 -24.38 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.552 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.0 t70 -48.94 -55.12 22.02 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -174.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 71.1 Cg_endo -75.48 -20.69 15.7 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.004 1.803 . . . . 0.0 112.836 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.498 HG22 ' HB2' ' A' ' 67' ' ' ALA . 48.1 mt -78.03 -39.5 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.286 -174.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.41 ' NE1' ' HB3' ' A' ' 56' ' ' LEU . 81.5 m95 -60.48 -28.47 68.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.042 0.448 . . . . 0.0 111.239 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.27 -26.94 47.33 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.16 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -95.03 -61.89 1.41 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.578 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -131.75 85.58 51.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.729 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.06 -49.59 12.3 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.714 2.276 . . . . 0.0 113.206 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -63.76 -39.21 93.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.242 0.544 . . . . 0.0 110.099 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.8 m -71.09 -32.91 69.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.724 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.498 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -60.15 -43.01 96.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.42 . . . . 0.0 110.348 175.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.9 t -63.99 -47.37 80.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.13 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 77.7 mtt-85 -64.15 -44.74 91.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.39 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.53 -41.88 91.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.804 ' HD2' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -67.73 -40.14 84.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.398 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.65 -39.47 97.58 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.294 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 98.0 mtt180 -64.23 -40.35 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.987 0.423 . . . . 0.0 110.186 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.738 HD11 HH21 ' A' ' 71' ' ' ARG . 36.4 mt -67.73 -37.72 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.092 177.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -54.01 -44.6 71.07 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.7 t -61.41 -44.44 97.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.2 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.4 t -61.62 -47.07 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.443 HD13 ' HD2' ' A' ' 92' ' ' PRO . 90.8 mt -62.98 -38.96 93.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.52 -48.56 79.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.192 0.52 . . . . 0.0 110.179 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -62.88 -44.9 94.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.605 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.14 88.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.668 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -69.02 -39.32 79.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.507 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.12 -42.19 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.49 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.549 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -67.79 -26.04 65.89 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 176.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.61 19.22 38.49 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.79 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -82.88 -17.05 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.513 0.673 . . . . 0.0 109.41 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.599 ' HD2' HG22 ' A' ' 44' ' ' VAL . 8.1 ptm180 -147.86 153.02 38.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.789 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -127.9 160.79 30.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.719 0.295 . . . . 0.0 110.642 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.36 -121.55 4.72 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.804 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.625 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 7.6 t70 -141.25 -164.08 1.69 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.427 ' H ' ' CG ' ' A' ' 90' ' ' ASP . 5.0 m120 -106.37 88.06 3.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 123.002 0.521 . . . . 0.0 110.798 -177.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.625 ' HD3' ' O ' ' A' ' 90' ' ' ASP . 19.2 Cg_exo -65.81 -13.17 38.55 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.089 2.526 . . . . 0.0 113.149 -174.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.44 7.04 44.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.381 . . . . 0.0 110.923 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -100.61 -51.39 3.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.394 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 3.3 m-90 69.17 154.63 0.12 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 122.0 0.905 . . . . 0.0 112.92 176.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -105.38 -23.51 12.83 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.865 170.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -173.24 91.59 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.609 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.413 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 17.2 t80 -96.04 -70.03 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.727 0.298 . . . . 0.0 110.667 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.951 0.405 . . . . 0.0 110.648 -179.191 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 tpp . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.3 p -94.2 160.0 14.88 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.205 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -66.41 -41.04 89.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.686 0.279 . . . . 0.0 110.288 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -59.32 -41.77 89.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.673 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 33.8 mt-10 -69.35 -46.19 67.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.065 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 t -63.95 -47.64 79.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.97 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.2 85.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.469 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.84 97.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.667 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 94.9 mt -60.56 -42.34 96.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.764 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -59.99 -49.1 78.98 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.106 0.479 . . . . 0.0 110.537 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.417 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 89.9 mt -66.35 -48.2 81.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.335 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 62.0 mtpt -63.19 -34.6 77.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.475 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.41 -27.08 66.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.172 0.511 . . . . 0.0 110.837 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -100.02 2.21 43.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.486 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.492 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 10.0 mmm180 -61.34 -33.62 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.221 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 m -68.42 -32.58 72.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.826 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -80.56 -32.96 36.49 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.924 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m0 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.079 179.273 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt . . . . . 0 N--CA 1.458 -0.061 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.42 -26.23 67.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 168.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -36.0 66.14 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.129 0.49 . . . . 0.0 110.888 172.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.04 -44.17 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.118 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -58.67 -42.49 88.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.675 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -54.67 -51.45 65.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 175.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -63.14 -48.77 77.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.043 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -63.61 -44.81 92.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -175.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -62.76 -48.63 78.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.657 0.265 . . . . 0.0 111.338 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.56 -41.21 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.727 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 2.5 tmtp? -62.56 -33.52 75.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.993 0.425 . . . . 0.0 110.195 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.7 m -78.66 -52.4 8.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.806 0.336 . . . . 0.0 111.235 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -79.28 -49.39 12.54 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.5 m -96.57 -9.87 28.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.471 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -55.04 -70.34 0.99 Allowed Glycine 0 CA--C 1.52 0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 113.951 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.86 -12.74 36.6 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.724 2.283 . . . . 0.0 112.883 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.526 HG12 HG21 ' A' ' 39' ' ' ILE . 38.5 t -89.55 -70.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.983 -176.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.526 HG21 HG12 ' A' ' 38' ' ' VAL . 29.4 pt -116.07 2.2 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.04 -64.25 4.53 Favored Glycine 0 CA--C 1.521 0.454 0 O-C-N 123.305 0.378 . . . . 0.0 113.459 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 5.9 Cg_exo -78.71 5.25 5.74 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.73 2.287 . . . . 0.0 112.931 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 39' ' ' ILE . 78.5 mt -87.64 154.59 20.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.13 143.54 52.03 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 177.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.8 p -66.14 -22.17 29.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.167 0.508 . . . . 0.0 110.105 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -84.0 -19.72 34.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.071 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.75 -26.02 37.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.992 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.86 110.57 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.232 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -122.04 -175.19 3.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.586 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.487 HG21 ' HE1' ' A' ' 53' ' ' MET . 4.8 m -62.26 -39.55 93.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.687 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -45.08 90.49 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.724 0.297 . . . . 0.0 110.37 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.444 ' O ' HG22 ' A' ' 55' ' ' VAL . 82.0 mt -63.36 -41.36 98.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.795 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.24 -40.94 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.555 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.487 ' HE1' HG21 ' A' ' 49' ' ' THR . 64.1 mtt -60.94 -39.36 89.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.997 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 7.8 mmpt? -68.97 -37.64 78.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.333 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 51' ' ' LEU . 84.8 t -58.1 -40.99 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.956 0.408 . . . . 0.0 110.63 176.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.532 HD11 HH11 ' A' ' 71' ' ' ARG . 35.0 mt -79.47 -24.42 42.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.084 -177.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.619 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 9.4 t70 -45.16 -59.19 4.58 Favored Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -172.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 90.1 Cg_endo -75.41 -21.88 14.67 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.043 1.829 . . . . 0.0 113.068 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.22 -29.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.54 -171.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -63.12 -29.08 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.638 0.256 . . . . 0.0 111.561 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -80.6 -22.78 40.33 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.976 0.417 . . . . 0.0 111.402 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -100.14 -59.99 1.61 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.867 -178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -143.13 85.47 9.71 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.805 -174.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -61.04 -36.77 80.62 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.549 2.166 . . . . 0.0 112.172 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -64.08 -44.56 92.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.703 179.391 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 m -71.19 -32.32 68.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.764 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.25 -39.43 82.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.097 0.475 . . . . 0.0 110.332 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 m -68.32 -36.66 79.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.63 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 64.3 mtp180 -68.93 -45.5 70.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.774 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.97 -34.32 75.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.25 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.532 HH11 HD11 ' A' ' 56' ' ' LEU . 2.4 tpm_? -55.64 -48.66 74.6 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.421 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.67 74.56 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.683 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -64.47 -45.27 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.611 0.243 . . . . 0.0 110.749 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.01 -38.85 82.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.66 0.267 . . . . 0.0 110.667 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -56.0 -45.54 79.0 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.9 m -60.55 -41.99 95.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.006 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.87 -47.25 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.799 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.42 -38.8 92.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.423 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.76 -40.89 92.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.0 0.428 . . . . 0.0 110.104 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -60.4 -44.77 95.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.889 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.75 71.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.938 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.664 HG23 ' HA2' ' A' ' 89' ' ' GLY . 57.9 m -69.27 -34.98 75.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.67 -41.87 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.132 0.491 . . . . 0.0 110.255 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -69.86 -23.48 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.369 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.61 31.43 13.17 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.831 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -88.58 -24.73 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.481 . . . . 0.0 110.216 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -140.96 174.22 10.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.309 172.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.43 ' C ' ' H ' ' A' ' 90' ' ' ASP . 43.6 mm-40 -72.42 172.78 9.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.741 0.305 . . . . 0.0 111.38 -175.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.664 ' HA2' HG23 ' A' ' 82' ' ' THR . . . -73.84 22.17 1.2 Allowed Glycine 0 C--N 1.332 0.353 0 CA-C-N 115.822 -0.626 . . . . 0.0 113.844 -175.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 88' ' ' GLU . 7.6 m-20 -111.14 124.47 52.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.803 0.335 . . . . 0.0 110.218 177.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -116.13 88.97 23.96 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.117 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.52 -8.75 15.83 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.049 2.499 . . . . 0.0 113.424 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.53 -10.23 56.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -82.5 -29.55 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.149 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.506 ' NE1' ' HB3' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 66.31 153.73 0.08 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.911 0.757 . . . . 0.0 113.0 173.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -85.27 -32.14 22.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.764 171.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 145.6 64.88 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.707 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.506 ' HB3' ' NE1' ' A' ' 95' ' ' TRP . 13.6 t80 -125.46 148.16 48.94 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 123.853 0.861 . . . . 0.0 112.016 -174.454 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 tpp . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.5 p -96.48 163.34 13.08 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.056 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.59 -41.44 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.713 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.5 m -62.86 -43.42 98.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.032 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -64.66 -47.71 77.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.965 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.9 t -61.88 -46.16 90.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.537 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.83 84.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.881 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.95 93.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.82 -46.32 91.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.358 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -58.02 -48.43 80.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.0 -49.91 82.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.26 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -70.43 -34.07 72.05 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.39 0.9 27.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -135.59 10.4 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.2 -0.313 . . . . 0.0 110.948 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -69.85 -16.65 63.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.919 -176.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -34.78 72.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.662 176.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 t -76.58 -18.99 58.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.14 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.2 m0 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.29 -179.521 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 19.6 mmmt . . . . . 0 C--O 1.227 -0.08 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -59.41 -44.23 92.89 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.339 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.14 81.26 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.232 0.539 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.5 -45.49 62.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.148 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 13.3 mm-40 -62.97 -37.48 87.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.616 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -54.6 -51.37 65.53 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.2 m -60.84 -51.22 70.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.958 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -55.95 -46.02 78.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.814 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -64.17 -54.36 34.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.47 -40.23 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.706 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.53 -35.63 74.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.697 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -81.68 -53.07 6.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.162 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -80.29 -49.54 11.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -174.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -90.43 -19.12 24.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.568 0.223 . . . . 0.0 111.462 -173.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.91 -64.69 4.02 Favored Glycine 0 CA--C 1.523 0.58 0 CA-C-N 115.821 -0.627 . . . . 0.0 114.366 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -63.98 -19.86 67.1 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.538 2.159 . . . . 0.0 113.564 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.9 t -95.33 -72.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.498 ' HA ' HD13 ' A' ' 42' ' ' LEU . 34.7 pt -105.76 1.16 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.273 -173.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.86 -63.17 5.49 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.52 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -76.03 5.35 4.55 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.792 2.328 . . . . 0.0 113.254 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 39' ' ' ILE . 86.6 mt -89.05 153.58 20.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.549 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 15.7 m -62.3 141.75 58.11 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.128 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.82 -26.29 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 111.291 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -80.78 -21.45 40.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.009 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.549 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 0.7 OUTLIER -86.91 4.3 42.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.626 -177.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.5 105.01 4.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -101.05 170.23 8.41 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.543 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 53' ' ' MET . 0.0 OUTLIER -65.94 -35.5 80.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.8 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -61.24 -42.09 98.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.927 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.27 -38.44 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.81 HD11 HH12 ' A' ' 71' ' ' ARG . 91.5 mt -62.05 -38.66 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.784 177.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.7 mtt -60.42 -39.07 86.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.595 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -60.54 -37.73 82.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.5 t -72.9 -45.44 55.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.254 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.28 -35.59 63.76 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -172.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.559 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 18.8 t70 -48.4 -56.62 13.59 Favored Pre-proline 0 N--CA 1.473 0.723 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -173.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 28.3 Cg_endo -65.79 -21.2 58.4 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.238 1.959 . . . . 0.0 113.007 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.0 mt -79.24 -28.11 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.312 . . . . 0.0 110.696 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.547 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 87.4 m95 -59.74 -30.39 68.8 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.147 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.27 -20.11 60.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.961 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -110.29 -56.26 2.36 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.498 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -138.72 85.49 16.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.863 -174.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.69 -46.05 22.27 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.759 2.306 . . . . 0.0 112.546 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 57.4 mm-40 -61.91 -42.85 99.57 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 121.128 0.49 . . . . 0.0 110.703 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -71.15 -33.66 70.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.839 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.37 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 0.0 110.249 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -68.24 -37.75 81.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.798 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 70.1 mtp180 -74.24 -39.77 62.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.569 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.413 HD12 ' HD2' ' A' ' 73' ' ' ARG . 67.0 tp -64.16 -34.23 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.396 0.617 . . . . 0.0 109.841 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.81 HH12 HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -54.84 -38.92 68.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.976 175.291 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.69 -30.42 77.89 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.598 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.413 ' HD2' HD12 ' A' ' 70' ' ' LEU . 91.1 mtt180 -67.76 -34.51 76.96 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.65 -42.95 96.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.852 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -56.68 -44.65 81.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.414 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.1 m -58.95 -42.19 89.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.881 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.9 t -72.22 -48.67 47.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.452 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.422 ' HB2' HD22 ' A' ' 91' ' ' ASN . 60.8 mt -63.78 -44.65 92.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.01 -37.72 83.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.233 0.539 . . . . 0.0 110.206 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -65.43 -39.53 92.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.852 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.05 77.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.096 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.755 HG21 ' HA ' ' A' ' 88' ' ' GLU . 81.8 m -60.24 -44.83 94.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.401 175.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.25 -38.42 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -66.68 -23.27 66.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.369 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.66 22.82 17.44 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.458 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -87.73 -21.8 24.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.353 0.597 . . . . 0.0 109.765 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.491 ' O ' ' HA ' ' A' ' 82' ' ' THR . 7.3 ptp180 -161.92 175.19 12.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.247 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.755 ' HA ' HG21 ' A' ' 82' ' ' THR . 12.1 pt-20 -164.81 -178.21 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.82 94.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 O-C-N 123.505 0.503 . . . . 0.0 112.951 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 91' ' ' ASN . 30.4 t70 56.52 -164.6 0.15 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 122.916 0.486 . . . . 0.0 110.104 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.698 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 56.3 t30 -158.61 140.48 9.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 121.804 -0.56 . . . . 0.0 109.567 177.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.698 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 39.7 Cg_endo -69.23 5.68 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.806 2.337 . . . . 0.0 112.944 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.679 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -89.89 -0.36 57.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.975 0.417 . . . . 0.0 110.567 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -83.53 149.16 26.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.179 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.44 106.12 5.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.876 175.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 96' ' ' ARG . 10.3 mtt180 -76.91 -21.51 54.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.064 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.5 -113.96 2.29 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -141.4 -48.07 0.39 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.699 0.285 . . . . 0.0 110.325 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.5 mt . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.056 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.4 ttm . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.117 0.484 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 40.9 p -82.94 176.29 9.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.606 172.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -63.75 -38.76 92.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -59.27 -45.95 89.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.763 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.5 mt-10 -62.56 -45.61 92.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.7 t -65.34 -47.73 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.672 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.3 83.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.034 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.84 99.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 88.5 mt -61.42 -42.15 98.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -56.9 -47.57 80.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.657 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -71.68 -50.68 37.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.523 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.6 mttt -71.86 -35.57 69.87 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -173.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.11 -10.24 59.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.883 0.373 . . . . 0.0 111.236 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.572 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 48.4 m80 -115.13 -3.19 12.59 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.463 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 11.3 ptm180 -58.74 -18.33 30.68 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -171.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -64.42 -53.8 42.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.007 0.432 . . . . 0.0 110.753 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -75.08 -23.09 57.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.222 1.01 . . . . 0.0 108.579 174.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.572 ' HB2' ' O ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.218 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.458 ' HE2' ' HB3' ' A' ' 22' ' ' LYS . 34.5 mtpt . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.437 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 1.3 p80 -67.54 -29.93 69.45 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.948 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.29 -38.11 78.17 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.216 0.532 . . . . 0.0 109.969 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.69 -46.23 90.59 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.133 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 16.3 mm-40 -58.43 -30.16 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.818 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.437 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 17.9 m95 -74.51 -51.15 15.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 m -66.33 -46.94 75.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.26 -176.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -66.52 -47.93 71.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.124 -171.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 p -62.34 -53.0 61.36 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.645 0.26 . . . . 0.0 111.474 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.71 -44.97 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -59.43 -34.81 72.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.017 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.8 m -81.69 -51.39 8.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.737 -175.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -77.85 -49.3 14.54 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.4 m -103.51 -19.26 14.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.54 -64.19 3.31 Favored Glycine 0 CA--C 1.519 0.326 0 O-C-N 123.81 0.694 . . . . 0.0 113.983 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.5 -24.07 51.15 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.718 2.278 . . . . 0.0 113.549 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.535 HG12 HG23 ' A' ' 55' ' ' VAL . 19.1 t -95.28 -73.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.1 pt -95.06 -3.03 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -173.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -55.5 -63.09 5.6 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.159 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.39 2.72 4.17 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.55 2.167 . . . . 0.0 113.169 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.596 HD11 HD11 ' A' ' 51' ' ' LEU . 78.6 mt -84.55 152.28 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.547 ' O ' HG22 ' A' ' 47' ' ' VAL . 39.2 t -68.69 147.5 51.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.54 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.51 -22.93 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 109.977 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -82.11 -24.68 35.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.436 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -86.76 -27.19 23.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.561 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 43' ' ' SER . 87.5 t -55.22 115.41 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.298 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -127.14 167.71 15.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.89 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.506 HG21 ' HE3' ' A' ' 53' ' ' MET . 24.0 m -59.42 -36.43 75.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.515 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -61.83 -42.54 99.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 111.142 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.596 HD11 HD11 ' A' ' 42' ' ' LEU . 61.0 mt -66.9 -38.18 85.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.657 0.741 . . . . 0.0 109.732 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.596 HG21 ' NE ' ' A' ' 71' ' ' ARG . 18.9 mt -62.26 -35.32 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.54 178.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.506 ' HE3' HG21 ' A' ' 49' ' ' THR . 66.8 mtt -66.65 -41.54 88.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.879 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -56.59 -38.88 72.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.424 -178.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.536 ' HB ' HH22 ' A' ' 71' ' ' ARG . 21.4 t -70.38 -38.93 75.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD21 ' HB2' ' A' ' 67' ' ' ALA . 51.1 mt -78.89 -23.11 45.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.946 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.569 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 9.0 t70 -45.54 -55.65 11.66 Favored Pre-proline 0 N--CA 1.47 0.562 0 O-C-N 123.55 0.531 . . . . 0.0 112.337 -176.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 72.8 Cg_endo -76.76 -13.51 17.83 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 121.946 1.764 . . . . 0.0 112.876 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.496 HD13 HD23 ' A' ' 56' ' ' LEU . 51.7 mt -82.78 -39.8 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 122.391 -0.193 . . . . 0.0 111.156 -177.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -57.92 -27.86 63.74 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.009 0.433 . . . . 0.0 111.114 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -69.26 -28.28 66.17 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.431 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -111.78 -52.99 2.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.274 -172.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -130.78 83.87 60.25 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.44 -53.19 4.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.059 2.506 . . . . 0.0 112.966 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.65 -40.18 91.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 110.742 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.2 m -67.85 -35.41 78.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.222 -175.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.586 ' HB2' HD21 ' A' ' 56' ' ' LEU . . . -58.05 -46.94 84.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.919 0.39 . . . . 0.0 110.926 178.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.6 t -71.26 -45.15 63.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.908 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -64.11 -32.8 74.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.831 0.348 . . . . 0.0 111.379 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 tp -67.56 -37.27 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.172 0.51 . . . . 0.0 110.179 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.596 ' NE ' HG21 ' A' ' 52' ' ' ILE . 19.6 mmt180 -67.65 -35.94 79.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.021 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.58 -30.67 72.59 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.272 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -71.23 -47.25 58.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.322 0.582 . . . . 0.0 109.904 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.83 -37.3 77.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.343 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.01 -48.05 64.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.501 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.67 -37.6 87.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.168 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.36 -49.08 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.566 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.39 -32.91 74.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.06 -47.67 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 109.845 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -60.59 -43.58 97.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.533 175.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.08 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.376 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.7 m -67.41 -44.61 78.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.81 -34.13 67.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 121.242 0.544 . . . . 0.0 110.429 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -72.54 -11.67 60.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.465 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.44 26.34 57.26 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.64 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -83.45 -32.64 25.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.185 0.517 . . . . 0.0 109.705 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -147.22 154.06 40.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.021 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -120.56 173.47 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 110.455 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.81 -162.31 24.11 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.234 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.521 ' OD1' ' HD3' ' A' ' 94' ' ' ARG . 5.7 t70 -87.79 170.93 10.78 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.469 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 45.8 t-20 -89.54 137.78 28.66 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 86.6 Cg_endo -86.24 -10.0 6.93 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.254 1.969 . . . . 0.0 113.678 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.04 3.0 56.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.521 ' HD3' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -102.53 150.36 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.966 0.412 . . . . 0.0 110.889 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.86 120.08 29.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.144 0.497 . . . . 0.0 112.088 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -104.33 103.33 13.05 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.15 -56.98 0.56 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -173.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.7 t80 61.68 -165.91 0.22 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.517 0.327 . . . . 0.0 110.269 173.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.115 0.483 . . . . 0.0 109.839 175.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.8 tpp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.621 0.248 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 74.6 p -97.0 164.26 12.6 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -63.33 -36.43 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -61.83 -47.06 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.632 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 45.7 mt-10 -63.33 -48.04 79.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.3 t -61.2 -44.96 96.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.935 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.17 89.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.931 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.21 82.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.987 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 86.5 mt -64.22 -43.11 95.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.475 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -56.9 -43.53 81.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.196 0.522 . . . . 0.0 110.222 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.465 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 90.5 mt -65.59 -50.05 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.08 178.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.5 ' HA ' ' HB3' ' A' ' 15' ' ' ARG . 93.2 mttt -67.21 -33.36 75.21 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.47 -14.31 56.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.775 0.322 . . . . 0.0 111.52 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.448 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 76.3 m80 -122.12 2.22 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.983 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.522 ' HA ' ' HB2' ' A' ' 18' ' ' TRP . 2.9 ptm180 -58.77 -21.67 56.3 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -166.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -77.0 -42.75 37.45 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.768 -0.582 . . . . 0.0 110.957 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -73.88 -14.93 61.15 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.522 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 1.6 m0 . . . . . 0 N--CA 1.44 -0.94 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.824 -174.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -60.46 -46.05 91.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.711 0.291 . . . . 0.0 110.775 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.19 86.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.55 -42.15 83.1 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.224 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.05 -38.85 77.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.909 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' HA ' HH11 ' A' ' 73' ' ' ARG . 9.0 m95 -67.0 -51.21 57.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 175.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 m -65.86 -51.12 61.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.901 -174.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.82 -49.98 75.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.858 -169.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.3 m -61.9 -48.04 82.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.772 0.32 . . . . 0.0 111.308 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.9 mt -67.27 -42.3 87.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.673 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 75.6 tttt -62.68 -35.12 78.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.079 0.466 . . . . 0.0 110.899 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.7 m -81.74 -51.56 8.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.861 -174.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -79.68 -49.15 12.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.6 m -88.77 -28.66 20.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.675 -0.238 . . . . 0.0 111.399 -174.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.537 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -50.04 -64.34 3.61 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 115.976 -0.557 . . . . 0.0 114.084 -176.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.9 -26.58 49.32 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.831 2.354 . . . . 0.0 113.526 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.425 HG11 HG22 ' A' ' 55' ' ' VAL . 24.2 t -92.99 -73.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.49 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.52 ' HA ' HD11 ' A' ' 42' ' ' LEU . 35.4 pt -101.59 0.76 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -173.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -56.43 -63.92 4.87 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-O 119.75 -0.472 . . . . 0.0 113.244 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 3.1 Cg_exo -76.42 -0.92 10.92 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.992 2.461 . . . . 0.0 112.515 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 39' ' ' ILE . 77.9 mt -81.47 159.06 24.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 t -67.16 147.52 52.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.797 0.332 . . . . 0.0 110.389 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG12 ' HB3' ' A' ' 87' ' ' ARG . 15.0 p -64.69 -17.79 22.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.464 ' CD ' ' HA ' ' A' ' 87' ' ' ARG . 22.6 mm-40 -74.01 -34.64 64.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.49 174.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -84.67 -5.99 59.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.94 109.88 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -129.13 165.26 21.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.445 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.466 HG21 ' HE3' ' A' ' 53' ' ' MET . 13.5 m -58.62 -40.52 83.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.725 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -58.56 -45.26 89.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.015 0.436 . . . . 0.0 109.921 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' O ' HG21 ' A' ' 55' ' ' VAL . 86.0 mt -66.37 -43.61 85.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.829 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.27 -41.06 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.466 ' HE3' HG21 ' A' ' 49' ' ' THR . 64.3 mtt -63.13 -36.48 83.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.799 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -68.95 -37.73 79.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.92 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 51' ' ' LEU . 51.0 t -68.15 -48.41 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.44 -24.94 60.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.291 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.543 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 4.3 t70 -49.12 -55.18 22.4 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 59.5 Cg_endo -74.36 -17.1 21.59 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.947 1.765 . . . . 0.0 112.589 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.2 mt -75.19 -37.0 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.988 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -58.8 -29.4 66.81 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.001 0.429 . . . . 0.0 111.494 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -73.33 -28.86 62.31 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.667 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -105.88 -49.55 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -135.69 79.07 47.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.152 -173.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.28 -40.96 17.42 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.494 2.129 . . . . 0.0 112.182 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -63.79 -40.71 97.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.134 0.492 . . . . 0.0 110.643 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.7 m -71.7 -32.55 67.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.795 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.8 93.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.725 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -71.17 -34.56 71.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -68.2 -32.84 73.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.27 0.557 . . . . 0.0 110.572 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 74' ' ' ILE . 51.4 tp -70.12 -43.1 71.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.219 177.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -61.13 -41.23 96.33 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.505 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.75 -38.43 95.18 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.133 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.59 HH11 ' HA ' ' A' ' 27' ' ' TRP . 75.9 mtm180 -70.86 -42.69 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.991 -0.123 . . . . 0.0 110.852 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 70' ' ' LEU . 75.5 mt -61.17 -46.9 95.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.576 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -55.07 -47.68 74.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.772 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.8 m -60.39 -44.04 96.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.179 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -67.12 -46.84 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.82 -43.58 98.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.543 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.99 -41.29 86.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.399 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -59.67 -44.06 93.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.165 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 86' ' ' TYR . . . -64.32 -30.85 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.891 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.595 HG21 ' HA2' ' A' ' 89' ' ' GLY . 36.0 m -64.45 -44.75 90.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.354 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.1 -45.07 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.05 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.81 -19.39 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.104 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.01 31.76 16.51 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.711 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.475 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 38.1 m-85 -91.64 -28.73 17.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.464 ' HA ' ' CD ' ' A' ' 45' ' ' GLN . 4.9 ptm85 -135.97 171.71 14.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.44 173.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.37 175.46 6.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.799 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.595 ' HA2' HG21 ' A' ' 82' ' ' THR . . . -77.72 27.73 1.89 Allowed Glycine 0 CA--C 1.517 0.168 0 N-CA-C 115.488 0.955 . . . . 0.0 115.488 -166.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -118.88 143.76 46.79 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 117.398 0.599 . . . . 0.0 111.305 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -123.58 87.88 52.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.685 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.22 5.31 3.2 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.002 2.468 . . . . 0.0 113.345 -176.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.13 -22.55 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.012 0.434 . . . . 0.0 110.813 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -87.41 128.63 35.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.541 0.686 . . . . 0.0 110.458 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -115.14 122.69 46.85 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.24 -176.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -72.45 -25.25 61.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.86 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.17 88.96 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.662 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.566 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 52.2 t80 -106.77 -46.42 3.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 171.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.888 177.703 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -91.51 165.28 13.44 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.113 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -62.63 -43.21 99.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.872 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.6 m -64.82 -43.3 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.141 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.1 mt-10 -67.42 -43.08 82.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.132 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' A' ' 9' ' ' LEU . 13.6 t -62.03 -43.63 98.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.393 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.93 89.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.361 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.94 86.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.949 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.2 mt -60.42 -45.78 92.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.385 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.61 -49.37 77.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.937 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.573 HD13 ' HG1' ' A' ' 28' ' ' THR . 97.7 mt -61.61 -47.13 94.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.128 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.694 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 95.5 mttt -63.67 -33.08 74.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.82 -14.54 63.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.625 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -122.64 9.27 9.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.694 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 20.4 ptt180 -68.05 -26.38 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 110.59 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -72.02 -26.56 62.26 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.324 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -32.24 24.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.356 0.598 . . . . 0.0 110.097 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.2 m0 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.733 -176.165 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.514 ' HE3' ' HB3' ' A' ' 22' ' ' LYS . 12.2 mtpp . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.537 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 2.4 p-80 -61.95 -27.83 69.12 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 27' ' ' TRP . . . -56.71 -42.73 79.68 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.218 0.533 . . . . 0.0 110.826 174.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.2 -42.81 88.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.083 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -60.6 -33.61 72.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.425 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.537 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 7.9 m95 -54.59 -51.4 65.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.676 0.275 . . . . 0.0 110.266 174.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.573 ' HG1' HD13 ' A' ' 11' ' ' ILE . 9.4 m -69.46 -43.24 73.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.278 0.561 . . . . 0.0 110.537 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -58.45 -48.96 79.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.517 -174.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m -67.22 -45.87 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.319 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.9 mt -62.74 -41.92 94.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.775 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.36 -31.34 71.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.943 0.401 . . . . 0.0 110.809 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 m -77.6 -53.15 7.93 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -80.34 -50.15 10.55 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.6 m -93.04 -26.21 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.389 -172.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.01 -65.02 2.43 Favored Glycine 0 CA--C 1.523 0.543 0 O-C-N 123.755 0.659 . . . . 0.0 114.566 -175.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.95 -9.34 24.58 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.693 2.262 . . . . 0.0 113.372 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.415 HG13 HG21 ' A' ' 39' ' ' ILE . 27.3 t -106.23 -73.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.646 0.26 . . . . 0.0 111.431 -176.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' HA ' HD13 ' A' ' 42' ' ' LEU . 36.9 pt -108.88 6.36 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.566 -173.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.91 -64.41 4.32 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 116.124 -0.489 . . . . 0.0 113.546 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -75.3 5.06 4.36 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.77 2.314 . . . . 0.0 113.276 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 39' ' ' ILE . 84.4 mt -80.33 146.14 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.3 m -59.84 138.76 57.71 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 120.762 0.315 . . . . 0.0 110.644 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.653 HG23 HH21 ' A' ' 87' ' ' ARG . 6.0 p -70.31 -12.43 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 121.271 0.557 . . . . 0.0 111.04 -174.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -87.32 -26.83 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.494 0.664 . . . . 0.0 109.601 173.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.71 -15.42 32.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.673 -174.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -57.92 107.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -108.92 163.95 12.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.738 -175.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.3 m -65.15 -33.82 76.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.155 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 8.1 tmtt? -66.78 -38.54 86.75 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.81 -38.28 86.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.311 178.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.5 mt -67.08 -38.75 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.229 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 13.2 mmt -57.33 -36.68 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -59.87 -42.08 92.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.383 . . . . 0.0 110.742 177.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.3 t -74.04 -47.09 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.097 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.4 mt -78.97 -31.09 44.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -171.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.589 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 24.9 t0 -47.13 -56.22 12.93 Favored Pre-proline 0 N--CA 1.476 0.828 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -174.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 36.8 Cg_endo -68.67 -33.43 21.58 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.585 1.523 . . . . 0.0 112.138 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.568 HG23 ' HB3' ' A' ' 67' ' ' ALA . 32.9 mm -68.8 -31.07 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.088 -176.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -54.81 -37.41 66.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.964 0.411 . . . . 0.0 110.89 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.23 -42.68 13.59 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.346 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -66.7 -59.25 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 111.364 -177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -138.65 82.63 21.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.942 -173.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.11 -46.37 31.44 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.22 2.613 . . . . 0.0 113.291 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.19 -33.6 73.61 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.09 0.471 . . . . 0.0 110.743 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 m -71.86 -36.84 70.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.8 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HB3' HG23 ' A' ' 59' ' ' ILE . . . -61.08 -45.18 95.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.025 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 p -70.88 -39.48 72.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.302 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.72 -37.62 85.05 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.036 0.446 . . . . 0.0 111.11 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 54.4 tp -67.87 -41.99 81.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.706 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.481 ' NH1' ' HB2' ' A' ' 95' ' ' TRP . 5.1 ttp180 -62.93 -36.74 84.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.284 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.02 99.92 Favored Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.887 -178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 20.0 ptp180 -71.83 -34.3 69.18 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.469 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.21 -39.84 83.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.88 -48.42 70.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.722 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.8 t -66.33 -42.66 87.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.899 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 73' ' ' ARG . 91.3 t -65.04 -46.42 91.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.944 0.402 . . . . 0.0 110.678 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD11 ' HD2' ' A' ' 92' ' ' PRO . 74.4 mt -61.62 -46.94 87.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.36 -40.13 89.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.912 0.387 . . . . 0.0 110.966 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.21 -45.57 94.03 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.681 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.98 -31.66 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.6 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.2 m -64.3 -48.69 74.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.777 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.2 -36.28 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.694 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -66.51 -15.39 63.35 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.104 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.33 33.96 11.14 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.142 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -90.82 -4.76 56.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.023 0.44 . . . . 0.0 110.614 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.653 HH21 HG23 ' A' ' 44' ' ' VAL . 10.2 ptp85 -166.03 171.34 12.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.126 174.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -116.93 164.36 14.8 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.37 -138.26 15.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.581 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -117.84 178.59 4.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -83.09 144.13 46.8 Favored Pre-proline 0 N--CA 1.445 -0.721 0 CA-C-O 120.861 0.362 . . . . 0.0 110.388 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.506 ' HD2' HD11 ' A' ' 78' ' ' LEU . 60.2 Cg_endo -73.65 0.26 8.41 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.78 2.32 . . . . 0.0 113.235 -177.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.4 18.03 21.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.0 115.22 10.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.36 0.6 . . . . 0.0 111.873 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.481 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -143.78 104.0 4.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.859 178.626 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -75.36 -17.3 60.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.006 0.431 . . . . 0.0 110.571 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.81 68.72 0.27 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.141 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -70.58 -65.28 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.473 0.177 . . . . 0.0 110.624 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 120.942 0.401 . . . . 0.0 110.559 175.146 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.459 ' O ' ' HA ' ' A' ' 43' ' ' SER . 42.9 tpp . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 67.5 p -95.64 162.57 13.56 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -58.96 -40.06 83.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.718 0.294 . . . . 0.0 110.634 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 m -60.97 -46.98 88.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.5 mt-10 -66.94 -43.97 81.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t -62.79 -44.76 95.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.717 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.28 -40.95 87.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.675 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.5 -33.59 76.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.879 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.0 mt -68.07 -41.78 81.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.364 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -57.13 -48.25 79.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.486 . . . . 0.0 110.287 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.56 HD12 ' HG1' ' A' ' 28' ' ' THR . 96.3 mt -58.84 -49.46 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.062 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.681 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.6 mttp -65.25 -34.45 78.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.509 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.78 -18.98 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.859 0.361 . . . . 0.0 111.362 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -112.39 -2.99 14.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.554 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 42.5 ptt85 -56.92 -29.13 62.8 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -171.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 m -70.35 -42.51 71.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.78 0.324 . . . . 0.0 110.979 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -74.78 -16.17 60.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.785 0.802 . . . . 0.0 108.973 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.564 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 4.0 m0 . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 114.457 -1.247 . . . . 0.0 113.428 -172.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.4 mmmt . . . . . 0 N--CA 1.464 0.228 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -60.27 -53.16 60.96 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.532 0.206 . . . . 0.0 111.331 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -34.92 75.9 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.088 0.47 . . . . 0.0 110.44 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.64 -51.31 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.871 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.8 mm-40 -60.2 -41.8 93.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.065 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -57.95 -51.13 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 111.073 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.56 ' HG1' HD12 ' A' ' 11' ' ' ILE . 9.7 m -68.72 -41.01 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.251 0.548 . . . . 0.0 110.283 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -64.28 -48.96 73.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.937 -172.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 p -66.93 -50.49 62.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.732 0.301 . . . . 0.0 111.705 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.79 -41.02 90.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 3.5 tmmm? -62.56 -35.47 79.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.159 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.9 m -81.78 -51.97 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.887 -175.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -78.61 -49.8 12.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 39.1 m -88.48 -24.08 23.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.535 0.207 . . . . 0.0 111.469 -173.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.498 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -50.04 -64.72 3.34 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.77 -0.65 . . . . 0.0 114.431 -175.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.93 -24.14 78.72 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.697 2.265 . . . . 0.0 113.868 -174.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -96.7 -70.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.488 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.2 pt -104.05 -0.09 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.632 0.253 . . . . 0.0 111.458 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -53.83 -63.16 5.37 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.571 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 6.9 Cg_exo -74.24 4.88 3.97 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.133 2.556 . . . . 0.0 113.243 -177.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 39' ' ' ILE . 94.8 mt -89.74 143.87 26.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 1' ' ' MET . 12.5 m -61.27 135.85 57.86 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.326 177.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.421 HG12 ' HB3' ' A' ' 86' ' ' TYR . 11.1 p -59.92 -24.34 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.64 -175.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 63.7 tt0 -73.8 -26.11 60.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.24 0.543 . . . . 0.0 111.079 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.81 -14.26 34.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.951 0.405 . . . . 0.0 110.629 -174.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.04 114.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.484 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -120.92 167.97 11.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.806 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.474 HG21 ' HE3' ' A' ' 53' ' ' MET . 33.4 m -55.15 -43.89 74.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.382 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 2.2 tmtp? -64.56 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.06 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.86 -38.21 90.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.8 -39.37 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.261 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.474 ' HE3' HG21 ' A' ' 49' ' ' THR . 66.9 mtt -58.94 -37.21 76.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.794 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 59.5 mtpt -62.07 -38.02 87.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -71.92 -43.46 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.48 -24.8 50.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.656 -175.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.579 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 16.4 t70 -43.91 -57.11 6.42 Favored Pre-proline 0 N--CA 1.472 0.653 0 O-C-N 123.849 0.718 . . . . 0.0 112.699 -175.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 58.8 Cg_endo -71.99 -23.6 21.64 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 121.793 1.662 . . . . 0.0 112.526 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.7 mm -75.43 -30.7 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 -175.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.427 ' O ' ' HG3' ' A' ' 64' ' ' PRO . 70.7 m95 -61.84 -28.63 69.62 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.347 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -82.13 -35.98 27.94 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.803 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -80.91 -60.32 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.234 -177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.571 ' HE3' ' OG1' ' A' ' 66' ' ' THR . 28.9 mtpp -143.4 85.24 9.62 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.172 -175.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.427 ' HG3' ' O ' ' A' ' 60' ' ' TRP . 32.4 Cg_exo -56.4 -49.74 14.1 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.368 2.712 . . . . 0.0 113.23 -174.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 71.2 mm-40 -60.8 -38.73 86.34 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.143 0.497 . . . . 0.0 110.716 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.571 ' OG1' ' HE3' ' A' ' 63' ' ' LYS . 29.9 m -68.01 -32.82 73.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.843 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 71' ' ' ARG . . . -62.23 -43.02 99.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.899 0.381 . . . . 0.0 111.073 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.686 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 24.1 t -70.22 -37.51 75.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.488 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 63.1 mtt180 -70.37 -32.49 70.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.025 0.441 . . . . 0.0 111.048 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.12 -34.22 77.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.308 176.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.686 ' HE ' ' HA ' ' A' ' 68' ' ' SER . 45.7 mtm180 -55.82 -36.15 67.16 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.555 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.54 -36.2 90.82 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.642 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -68.02 -47.37 68.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.011 0.434 . . . . 0.0 109.963 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.5 mt -61.87 -44.51 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.489 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.8 -44.66 96.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.391 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.0 m -60.59 -43.14 97.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.316 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.85 -43.22 79.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.18 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.483 HD11 ' HD2' ' A' ' 92' ' ' PRO . 94.2 mt -63.86 -36.05 82.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.464 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.27 -45.21 85.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.231 0.539 . . . . 0.0 110.11 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -60.83 -44.51 96.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.349 176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.9 -36.83 82.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.397 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.744 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 87.5 m -65.2 -42.48 93.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.977 0.417 . . . . 0.0 111.373 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.1 t -70.42 -34.21 57.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 110.563 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 84' ' ' ARG . 3.1 mpt_? -80.75 -4.07 53.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.588 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.42 3.25 78.55 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.888 172.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' HB3' HG12 ' A' ' 44' ' ' VAL . 36.8 m-85 -70.1 -21.48 63.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.448 0.642 . . . . 0.0 109.892 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.744 ' O ' ' HA ' ' A' ' 82' ' ' THR . 11.6 ptm180 -154.56 147.86 24.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 171.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -134.58 163.28 30.08 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.033 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.38 -102.15 0.99 Allowed Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.58 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.01 162.75 38.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -82.28 141.1 45.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.483 ' HD2' HD11 ' A' ' 78' ' ' LEU . 93.4 Cg_endo -92.57 5.23 3.38 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.882 2.388 . . . . 0.0 112.735 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.55 1.4 46.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.69 -175.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.532 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 5.0 ppt_? -96.55 142.95 28.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.965 0.412 . . . . 0.0 110.607 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.438 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -136.46 158.99 43.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.456 -175.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.44 -52.49 4.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.354 173.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.43 52.71 0.42 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.283 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.438 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 74.6 t80 -51.91 -53.67 38.23 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.174 0.511 . . . . 0.0 110.303 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.863 176.545 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.6 p -86.09 162.81 18.24 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.033 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.24 -41.42 96.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.728 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m -60.85 -40.87 94.49 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.804 0.335 . . . . 0.0 110.94 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 51.6 mt-10 -67.46 -48.35 67.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.23 -44.02 96.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.778 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.46 93.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.568 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.65 97.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 88.9 mt -63.74 -37.45 87.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.74 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -57.68 -44.36 85.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.105 0.478 . . . . 0.0 110.161 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.0 -47.95 65.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.47 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.551 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 95.7 mttt -56.98 -46.1 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.702 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.69 -3.82 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -130.1 6.64 5.0 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.212 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 16.4 ptt180 -72.57 -15.98 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.008 0.433 . . . . 0.0 111.155 -174.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -90.31 -29.39 18.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.812 173.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 m -74.6 -17.44 60.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.847 0.832 . . . . 0.0 109.038 173.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 52.0 m0 . . . . . 0 N--CA 1.439 -0.98 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.38 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.8 pttt . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.21 -45.87 79.69 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 174.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.05 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.217 0.532 . . . . 0.0 110.118 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.81 -43.4 93.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.754 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -57.84 -42.56 84.66 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.213 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -66.02 -47.99 72.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.251 176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 25.5 m -69.02 -49.27 59.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.544 -175.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -57.75 -46.61 84.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.707 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.0 p -63.78 -53.14 55.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.732 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.21 -39.93 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.05 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 28' ' ' THR . 7.3 tmtt? -60.08 -38.62 83.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.251 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.8 m -81.84 -49.98 9.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.995 -174.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -79.34 -48.07 14.7 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.4 m -88.42 -28.13 21.1 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.55 -64.42 3.68 Favored Glycine 0 CA--C 1.523 0.585 0 O-C-N 123.653 0.596 . . . . 0.0 114.388 -175.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -58.52 -20.66 50.52 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.949 2.433 . . . . 0.0 113.93 -175.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.49 -79.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.434 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.489 ' HA ' HD11 ' A' ' 42' ' ' LEU . 31.3 pt -96.26 4.63 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 111.466 -174.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.1 -63.45 5.26 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.537 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.5 5.46 3.73 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.979 2.453 . . . . 0.0 113.087 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.489 HD11 ' HA ' ' A' ' 39' ' ' ILE . 84.6 mt -88.56 160.59 17.38 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -71.08 138.68 49.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' HA ' HG23 ' A' ' 47' ' ' VAL . 14.5 p -66.42 -22.03 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.562 0.696 . . . . 0.0 109.693 175.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.588 ' HG2' ' HB2' ' A' ' 87' ' ' ARG . 20.1 tm0? -75.07 -36.99 61.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.332 178.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -82.79 -7.63 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -177.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.477 HG23 ' HA ' ' A' ' 44' ' ' VAL . 94.8 t -58.11 105.65 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.128 0.489 . . . . 0.0 111.068 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -116.89 167.07 11.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.007 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 53' ' ' MET . 1.4 m -58.36 -38.93 78.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.586 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -62.73 -39.07 92.93 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.007 0.432 . . . . 0.0 110.403 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.62 -38.77 90.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.674 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.46 -38.74 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.245 177.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.3 mtt -59.45 -37.45 78.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -61.56 -38.18 86.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.3 t -75.32 -42.98 43.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.097 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.5 mt -76.72 -24.35 53.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -172.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.559 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.7 t70 -47.0 -55.56 14.84 Favored Pre-proline 0 N--CA 1.474 0.751 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -175.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 71.8 Cg_endo -77.18 -19.29 13.67 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.841 1.694 . . . . 0.0 113.299 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.56 HG23 ' HB2' ' A' ' 67' ' ' ALA . 57.0 mt -77.66 -39.72 27.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 O-C-N 122.462 -0.149 . . . . 0.0 111.3 -175.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -58.79 -29.98 67.23 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.16 0.505 . . . . 0.0 111.221 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -77.77 -27.18 50.24 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.191 -177.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -94.9 -61.89 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.323 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -140.47 85.86 12.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.178 -172.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.54 -31.06 93.62 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.777 2.318 . . . . 0.0 112.467 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.41 -45.02 92.91 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.238 0.542 . . . . 0.0 110.454 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -71.22 -36.4 71.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.21 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.56 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -62.18 -40.99 97.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.519 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.1 m -65.65 -40.48 92.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.585 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -67.98 -38.49 82.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.887 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.2 tp -63.88 -39.34 93.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.915 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -54.47 -49.74 69.38 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.13 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.58 -41.92 98.99 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.5 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -68.12 -43.07 79.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.543 0.211 . . . . 0.0 110.977 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.06 -39.52 85.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.65 0.262 . . . . 0.0 110.604 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -56.25 -48.48 76.45 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.694 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.6 m -61.78 -43.78 98.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.493 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.14 -47.81 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.956 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.488 HD11 ' HD2' ' A' ' 92' ' ' PRO . 88.7 mt -65.78 -39.79 91.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.261 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' O ' HG21 ' A' ' 83' ' ' VAL . 32.4 t70 -65.52 -41.91 92.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.343 . . . . 0.0 110.357 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.412 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 64.9 t90 -58.11 -51.06 71.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.373 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.58 96.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.137 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.7 m -64.16 -43.27 95.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 79' ' ' ASP . 92.1 t -68.81 -40.04 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.82 178.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 24.8 mmm180 -69.24 -16.05 63.5 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.64 32.93 8.24 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.743 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -84.26 -15.02 48.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.025 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.588 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 11.5 ptt180 -164.48 164.48 21.87 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -96.08 176.1 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.56 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.54 -125.69 7.53 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.691 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -156.02 172.47 18.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -90.86 143.19 28.37 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 118.395 0.543 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.505 ' HD3' ' NH2' ' A' ' 87' ' ' ARG . 85.9 Cg_endo -87.82 5.68 5.35 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.019 2.479 . . . . 0.0 112.888 -174.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.49 -11.48 59.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -87.65 126.56 35.03 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.922 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -117.34 116.29 26.92 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.465 -178.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -73.17 -38.49 66.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.931 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.26 -21.47 2.79 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.24 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.6 t80 65.67 175.2 0.22 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.906 0.482 . . . . 0.0 110.648 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 121.267 0.556 . . . . 0.0 110.394 178.678 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.0 p -91.99 168.25 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.415 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -65.41 -39.89 92.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.587 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -64.49 -40.48 95.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.42 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 49.0 mt-10 -65.67 -49.39 68.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.4 t -60.88 -45.12 95.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.601 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.2 86.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.786 177.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -62.42 -30.81 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 77.7 mt -73.02 -43.76 61.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.642 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -56.76 -48.55 77.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.564 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.577 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 95.3 mt -58.51 -40.14 77.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.238 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 61.4 mttp -71.09 -45.06 64.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.751 0.31 . . . . 0.0 111.391 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.5 -28.92 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.003 0.43 . . . . 0.0 111.713 -176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -107.11 6.76 29.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.65 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -67.43 -37.58 83.24 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.626 0.25 . . . . 0.0 110.867 -175.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -67.08 -28.43 68.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.998 0.428 . . . . 0.0 110.889 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -70.89 -33.78 70.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.853 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.3 m0 . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.827 0.346 . . . . 0.0 111.235 -178.367 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -55.22 -35.08 64.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.346 -172.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.23 93.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.813 0.339 . . . . 0.0 110.642 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.1 -36.45 66.77 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -58.8 -41.87 87.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.186 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -71.61 -46.7 58.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.3 m -61.34 -50.27 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.53 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -54.78 -50.25 68.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.967 -170.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 m -61.44 -53.61 54.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.46 -42.0 89.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.043 -175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -64.4 -32.99 74.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.022 0.439 . . . . 0.0 110.51 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.8 m -82.67 -51.59 7.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.22 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -79.07 -50.05 11.68 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.422 ' SG ' HD21 ' A' ' 70' ' ' LEU . 60.3 m -85.49 -30.66 23.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -174.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.71 -65.08 3.03 Favored Glycine 0 CA--C 1.522 0.474 0 O-C-N 123.877 0.736 . . . . 0.0 114.155 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.77 -20.23 34.45 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.942 2.428 . . . . 0.0 113.811 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.617 HG13 HG22 ' A' ' 55' ' ' VAL . 29.1 t -100.63 -73.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.546 -176.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.5 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.8 pt -104.92 4.22 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.565 0.221 . . . . 0.0 111.567 -174.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.28 -63.69 4.95 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 116.159 -0.473 . . . . 0.0 113.33 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.78 5.49 4.34 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.98 2.453 . . . . 0.0 113.016 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 39' ' ' ILE . 78.3 mt -86.31 153.16 22.17 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.433 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 32.7 t -61.97 141.53 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.439 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.1 -22.17 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.008 0.432 . . . . 0.0 110.142 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -80.18 -33.18 38.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' OD2' ' HB3' ' A' ' 43' ' ' SER . 3.0 m-20 -69.95 -24.53 63.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.394 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.9 t -55.56 111.54 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.486 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 49' ' ' THR . 32.5 t70 -132.74 173.4 11.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.106 -176.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.422 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 1.3 m -52.18 -49.25 64.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.902 0.751 . . . . 0.0 112.452 -174.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -71.41 -34.13 70.07 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -174.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.36 -41.87 98.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.754 0.311 . . . . 0.0 110.252 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.94 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.079 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.462 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 65.8 mtt -61.1 -40.1 92.47 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.235 178.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -59.87 -37.12 78.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.47 0.176 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.617 HG22 HG13 ' A' ' 38' ' ' VAL . 39.3 t -70.47 -48.77 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -76.42 -28.78 56.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.325 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.575 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 1.3 t70 -51.68 -53.21 53.09 Favored Pre-proline 0 N--CA 1.47 0.53 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -174.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 21.7 Cg_exo -63.27 -34.74 66.4 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.911 1.741 . . . . 0.0 112.036 175.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 57.3 mt -71.64 -32.78 46.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.424 -174.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -54.59 -25.4 26.12 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.96 -39.37 42.78 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 120.841 0.353 . . . . 0.0 111.908 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -105.97 -42.17 5.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -174.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -125.1 69.17 58.62 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.879 -173.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -63.9 -49.37 4.08 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.2 1.934 . . . . 0.0 112.118 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 38.9 tt0 -60.54 -41.5 94.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.882 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 m -69.53 -39.38 77.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.661 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 71' ' ' ARG . . . -61.76 -39.57 92.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.002 0.43 . . . . 0.0 109.972 175.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -64.19 -43.0 96.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.471 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 43.8 mtt180 -61.87 -43.53 98.66 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.117 0.485 . . . . 0.0 110.36 176.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.422 HD21 ' SG ' ' A' ' 35' ' ' CYS . 31.5 tp -61.14 -38.09 85.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.053 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 35.8 mtm180 -55.07 -44.38 74.74 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 178.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.59 -38.83 95.07 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.384 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.473 ' O ' HG22 ' A' ' 77' ' ' VAL . 92.1 mtt180 -67.94 -44.96 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.659 0.266 . . . . 0.0 110.687 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.6 -38.76 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.016 0.436 . . . . 0.0 109.901 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.44 -48.08 81.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.533 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -66.97 -33.25 75.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.724 0.297 . . . . 0.0 111.7 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 73' ' ' ARG . 85.6 t -71.24 -44.51 73.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 120.851 0.358 . . . . 0.0 110.794 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.57 -38.59 91.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.334 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.04 -45.22 93.28 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.005 0.431 . . . . 0.0 110.088 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.46 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 77.5 t90 -58.18 -51.18 70.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.406 ' HA ' ' HD2' ' A' ' 86' ' ' TYR . . . -63.95 -32.91 74.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.737 0.303 . . . . 0.0 111.316 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.787 HG23 ' HA3' ' A' ' 89' ' ' GLY . 70.8 m -65.08 -49.69 69.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.956 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.7 t -70.62 -37.8 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -177.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 17.0 mmm180 -70.37 -25.35 63.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.264 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.31 37.62 5.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.288 175.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.406 ' HD2' ' HA ' ' A' ' 81' ' ' ALA . 85.0 m-85 -91.25 -20.9 21.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.383 . . . . 0.0 110.277 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -161.63 157.93 25.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.78 142.3 56.14 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 170.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.787 ' HA3' HG23 ' A' ' 82' ' ' THR . . . -127.26 -132.75 3.68 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.2 -1.476 . . . . 0.0 115.673 -163.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.5 114.68 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 114.301 -0.949 . . . . 0.0 109.027 -160.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.516 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 14.6 t-20 -72.35 136.88 81.21 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.378 -161.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 93.9 Cg_endo -87.22 -10.66 5.57 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.066 2.51 . . . . 0.0 112.372 173.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.87 2.87 40.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.242 0.544 . . . . 0.0 110.676 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -102.68 114.78 29.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.698 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -113.61 147.36 38.2 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.43 -173.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -75.77 -21.22 57.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.669 0.747 . . . . 0.0 109.014 171.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.43 89.63 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.046 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.404 ' HD2' ' HG ' ' A' ' 99' ' ' LEU . 67.1 t80 -50.64 -53.67 29.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.023 0.439 . . . . 0.0 110.588 -177.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.404 ' HG ' ' HD2' ' A' ' 98' ' ' TYR . 89.1 mt . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 109.767 175.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 tpp . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.893 0.377 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 60.4 p -103.68 167.9 9.49 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.831 175.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.71 -41.62 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.433 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -60.09 -43.89 95.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.097 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 41.8 mt-10 -66.0 -45.65 80.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.12 -40.85 90.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.244 0.545 . . . . 0.0 110.071 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.48 94.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.234 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.22 75.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.074 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 92.7 mt -61.21 -49.59 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.968 0.413 . . . . 0.0 110.14 176.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -58.22 -44.9 88.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.735 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.24 -50.33 53.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.964 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -68.97 -34.54 75.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.453 0.168 . . . . 0.0 111.445 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.07 -6.77 36.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.323 . . . . 0.0 111.656 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -132.76 9.34 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.128 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -64.64 -36.27 83.72 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -172.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -72.72 -25.72 61.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.169 0.509 . . . . 0.0 110.588 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 m -86.9 -12.99 46.09 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.7 m0 . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.169 0.509 . . . . 0.0 111.987 -176.66 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.71 ' HB3' ' HB3' ' A' ' 25' ' ' ASP . 33.6 mtmt . . . . . 0 N--CA 1.469 0.478 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -55.23 -35.2 64.66 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 120.641 0.257 . . . . 0.0 110.691 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.13 -39.4 78.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.957 0.408 . . . . 0.0 111.113 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.71 ' HB3' ' HB3' ' A' ' 22' ' ' LYS . 38.4 t70 -66.07 -39.03 89.73 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.035 0.445 . . . . 0.0 109.874 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -58.39 -45.43 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.58 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -62.19 -51.22 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.974 177.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m -60.58 -48.99 79.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.196 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.48 -48.14 78.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.542 -173.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 p -64.9 -51.07 63.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.664 0.268 . . . . 0.0 111.64 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.415 HD13 ' HB3' ' A' ' 73' ' ' ARG . 78.2 mt -61.39 -43.16 96.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.072 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -64.21 -29.57 70.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.7 m -81.48 -51.99 7.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.031 0.443 . . . . 0.0 111.76 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -79.95 -49.32 12.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.458 ' HG ' HG13 ' A' ' 55' ' ' VAL . 36.3 m -87.95 -22.35 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.107 -175.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.463 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -51.87 -67.64 1.92 Allowed Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.974 -0.557 . . . . 0.0 113.94 -175.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.97 -5.05 4.25 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 122.904 2.403 . . . . 0.0 114.057 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.0 t -107.61 -66.39 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 111.02 -178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' HA ' HD13 ' A' ' 42' ' ' LEU . 34.3 pt -116.77 2.45 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.627 -175.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.509 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -54.29 -63.57 5.06 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 116.088 -0.506 . . . . 0.0 113.329 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 6.7 Cg_exo -74.6 5.94 3.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.053 2.502 . . . . 0.0 113.028 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 39' ' ' ILE . 83.3 mt -94.44 168.05 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.434 ' O ' HG21 ' A' ' 47' ' ' VAL . 47.2 t -68.74 139.47 55.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.874 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.8 p -70.47 -20.02 22.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.502 0.668 . . . . 0.0 109.675 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 23.4 tm0? -77.16 -37.65 53.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.238 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.9 -18.86 60.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.121 -175.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.552 ' HA ' HD13 ' A' ' 51' ' ' LEU . 88.0 t -59.94 114.19 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.047 0.451 . . . . 0.0 110.468 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.6 t70 -133.76 -173.18 3.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.091 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 m -58.54 -43.24 89.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.58 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -57.92 -45.19 86.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.02 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.56 ' O ' HG22 ' A' ' 55' ' ' VAL . 78.2 mt -67.93 -46.22 72.13 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.328 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.462 HD13 ' HB2' ' A' ' 92' ' ' PRO . 67.2 mt -61.07 -44.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.551 0.215 . . . . 0.0 111.544 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.6 ptp -64.37 -34.44 78.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.858 0.361 . . . . 0.0 110.6 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.724 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.67 -37.57 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.224 177.04 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 51' ' ' LEU . 94.5 t -61.21 -45.99 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.531 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 59' ' ' ILE . 97.8 mt -72.21 -24.43 61.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.551 -177.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.568 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 4.8 t70 -48.11 -57.17 11.08 Favored Pre-proline 0 CA--C 1.541 0.606 0 O-C-N 123.705 0.628 . . . . 0.0 112.513 -174.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 72.9 Cg_endo -76.34 -14.57 18.28 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.744 1.629 . . . . 0.0 112.598 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 56' ' ' LEU . 61.2 mt -76.25 -34.38 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.561 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -60.99 -26.82 67.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.024 0.44 . . . . 0.0 110.743 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -75.94 -47.92 23.29 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.692 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.2 -65.25 0.87 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.936 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.69 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -132.36 85.6 48.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.511 -174.262 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.79 -26.54 79.65 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.592 2.195 . . . . 0.0 112.45 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -71.15 -45.1 64.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.456 0.646 . . . . 0.0 110.04 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -71.72 -31.02 66.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.174 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.08 75.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 111.13 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -70.23 -39.94 74.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -68.22 -37.54 80.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.231 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.46 -33.92 75.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.116 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -54.69 -37.34 65.69 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.403 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.59 -36.24 91.1 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.606 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HB3' HD13 ' A' ' 31' ' ' ILE . 72.8 mtt85 -71.28 -45.33 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.16 -41.55 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.127 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HA ' HD22 ' A' ' 91' ' ' ASN . 37.9 tt0 -59.7 -49.03 79.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.234 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -60.94 -39.18 88.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.313 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.3 t -70.96 -47.34 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.008 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.73 -37.33 82.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.308 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -59.45 -47.15 86.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 109.912 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -62.21 -49.52 75.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.663 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.58 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.737 -177.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.2 m -65.3 -44.09 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.31 -33.14 60.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.077 0.465 . . . . 0.0 110.691 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -77.48 -4.12 43.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.847 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.2 13.3 68.88 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.364 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -78.92 -19.64 51.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.089 0.471 . . . . 0.0 110.057 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 8.4 ptm180 -159.19 150.49 20.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -109.9 166.33 11.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.995 0.426 . . . . 0.0 111.071 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.57 -143.14 15.78 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.472 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.25 -175.08 2.73 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.466 HD22 ' HA ' ' A' ' 75' ' ' GLU . 15.8 t30 -94.64 136.2 23.31 Favored Pre-proline 0 C--N 1.319 -0.743 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.791 -178.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.462 ' HB2' HD13 ' A' ' 52' ' ' ILE . 2.8 Cg_exo -79.17 -20.62 9.8 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.935 2.423 . . . . 0.0 113.5 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.44 2.06 23.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -75.2 -64.54 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.966 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.558 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER 69.96 125.13 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 177.307 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -74.09 -30.52 62.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.74 173.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 160.46 77.03 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.98 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.558 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 62.9 t80 -71.24 -42.01 69.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.065 0.459 . . . . 0.0 110.291 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.965 178.316 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.5 tpp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.2 p -91.97 167.32 12.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.9 -41.74 95.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.503 -177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 m -62.44 -44.74 95.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.651 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -65.79 -45.44 82.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.93 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 t -60.91 -46.06 92.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.472 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.16 94.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.987 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.01 97.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.872 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.6 -39.75 94.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -57.5 -49.54 75.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.034 0.445 . . . . 0.0 110.405 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.452 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 80.1 mt -59.62 -48.38 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.857 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.711 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 97.7 mttt -68.9 -33.31 73.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.66 -178.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -18.01 62.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 111.184 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.557 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 61.2 m-70 -114.6 -11.31 12.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 10.6 ptm180 -54.16 -25.36 22.1 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -169.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 t -64.54 -38.29 90.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.053 0.454 . . . . 0.0 110.7 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -92.69 -15.11 27.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.126 0.965 . . . . 0.0 108.926 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.557 ' HB2' ' O ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 113.904 -1.498 . . . . 0.0 112.683 -171.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 pttt . . . . . 0 C--O 1.223 -0.293 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -55.71 -50.13 71.16 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 120.69 0.281 . . . . 0.0 111.292 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.54 80.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 110.325 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.87 -46.31 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.197 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.73 -33.56 68.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.724 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.502 ' CE3' ' HG3' ' A' ' 73' ' ' ARG . 8.8 m95 -76.79 -50.65 13.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 110.951 176.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.4 m -63.08 -47.5 82.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.203 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -56.56 -45.45 81.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.272 -175.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.485 ' HB ' HD13 ' A' ' 70' ' ' LEU . 8.3 p -62.76 -44.23 96.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.754 0.311 . . . . 0.0 111.722 -178.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.0 mt -73.6 -44.8 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.126 0.488 . . . . 0.0 110.776 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.84 -38.37 78.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.912 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.7 m -82.7 -53.79 5.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.029 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -80.36 -50.41 10.18 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -174.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -85.66 -31.26 22.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.635 -170.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.507 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -45.26 -64.71 2.15 Favored Glycine 0 CA--C 1.524 0.63 0 O-C-N 123.793 0.683 . . . . 0.0 114.784 -175.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.27 -20.04 49.54 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.402 2.068 . . . . 0.0 113.72 -174.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -96.94 -73.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.658 -174.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.7 pt -101.03 -3.03 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.43 -174.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.96 -63.54 4.93 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.767 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 7.2 Cg_exo -74.43 5.21 3.84 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.981 2.454 . . . . 0.0 113.344 -177.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -92.34 150.69 20.69 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m -57.95 128.9 39.41 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.579 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.99 -22.72 31.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.379 0.609 . . . . 0.0 111.129 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.443 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 33.7 tt0 -77.97 -24.35 48.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.316 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -97.53 -0.24 46.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.465 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.36 123.73 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.663 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.448 ' HB2' ' HG ' ' A' ' 51' ' ' LEU . 46.0 m-20 -96.65 168.57 10.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.787 -177.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.461 HG23 ' HE1' ' A' ' 53' ' ' MET . 4.4 m -68.3 -39.27 82.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.064 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -61.86 -42.02 98.55 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.746 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' HG ' ' HB2' ' A' ' 48' ' ' ASP . 55.0 mt -59.08 -41.87 89.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.663 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.27 -42.41 90.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.461 ' HE1' HG23 ' A' ' 49' ' ' THR . 66.1 mtt -58.0 -44.36 87.18 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 120.891 0.377 . . . . 0.0 110.517 176.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.14 -42.02 84.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.409 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 51' ' ' LEU . 61.3 t -70.16 -41.43 78.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.444 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.3 mt -79.18 -24.23 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.349 -174.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.602 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 12.8 t70 -46.5 -57.6 8.35 Favored Pre-proline 0 N--CA 1.474 0.742 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 55.8 Cg_endo -70.45 -11.94 30.77 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.855 1.703 . . . . 0.0 112.521 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.422 HG21 ' HB1' ' A' ' 67' ' ' ALA . 29.4 mt -91.78 -36.92 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.65 -178.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.509 ' O ' ' HG3' ' A' ' 64' ' ' PRO . 50.6 m95 -53.68 -34.05 57.42 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.074 0.464 . . . . 0.0 111.543 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -82.74 -40.69 20.2 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.701 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -84.83 -54.18 4.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.554 -174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -135.07 77.31 56.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.455 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.509 ' HG3' ' O ' ' A' ' 60' ' ' TRP . 25.9 Cg_exo -60.84 -35.41 88.63 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.729 2.286 . . . . 0.0 111.868 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.56 -45.67 93.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.437 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.4 m -72.69 -33.9 66.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.81 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HB1' HG21 ' A' ' 59' ' ' ILE . . . -61.87 -48.48 80.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.33 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -68.13 -33.39 74.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.899 0.381 . . . . 0.0 111.023 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -72.12 -33.24 67.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.82 177.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.485 HD13 ' HB ' ' A' ' 30' ' ' THR . 64.8 tp -65.95 -34.95 79.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.077 176.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -58.25 -38.54 77.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.58 -32.07 80.02 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.522 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.502 ' HG3' ' CE3' ' A' ' 27' ' ' TRP . 6.3 mpt_? -66.35 -51.98 51.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.974 0.416 . . . . 0.0 110.031 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.0 mt -67.3 -39.72 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.478 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.01 -47.51 82.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.152 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.7 t -75.44 -32.47 60.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.966 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 73' ' ' ARG . 75.5 t -67.49 -44.53 86.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.669 0.271 . . . . 0.0 110.53 177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.518 HD11 ' HD2' ' A' ' 92' ' ' PRO . 99.0 mt -66.98 -33.8 76.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 0.0 110.336 176.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.66 -47.06 87.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.419 0.628 . . . . 0.0 109.804 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -63.17 -45.8 90.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.868 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -61.25 -35.19 76.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.671 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 89.7 m -62.56 -43.45 98.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.051 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.6 t -72.72 -40.51 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.723 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.597 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -72.32 -10.34 59.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.92 177.732 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.15 13.95 63.16 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.798 172.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 63.6 m-85 -68.81 -32.24 71.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.292 0.568 . . . . 0.0 109.945 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.526 ' O ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -150.09 152.72 35.22 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 170.637 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.07 176.13 8.97 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.121 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.98 99.41 0.06 OUTLIER Glycine 0 C--N 1.331 0.269 0 CA-C-N 115.954 -0.566 . . . . 0.0 114.457 -171.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' OD2' ' HD3' ' A' ' 92' ' ' PRO . 28.3 t70 -169.69 137.73 1.77 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.098 0.559 . . . . 0.0 109.778 174.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -135.42 87.77 26.53 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.303 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.518 ' HD2' HD11 ' A' ' 78' ' ' LEU . 43.6 Cg_endo -67.94 -5.43 14.55 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.979 2.453 . . . . 0.0 113.159 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.13 -46.69 10.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.549 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 94' ' ' ARG . 26.5 ttp180 -72.1 132.09 43.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.556 0.693 . . . . 0.0 111.569 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.454 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 1.4 m-90 -120.34 148.94 43.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.063 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -102.83 -29.3 11.54 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -157.92 56.29 0.37 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.733 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 86.1 t80 -65.25 -41.56 94.17 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 173.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.047 177.313 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 tpp . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.865 0.364 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 60.1 p -95.5 166.4 11.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.17 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.2 -40.34 89.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.294 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 m -63.51 -43.48 97.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 43.0 mt-10 -65.42 -48.13 73.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.845 0.355 . . . . 0.0 111.064 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.3 t -62.17 -43.44 98.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.213 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.15 89.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.622 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.79 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.062 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 87.8 mt -64.28 -41.63 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.484 177.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -62.59 -40.17 96.06 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.321 0.581 . . . . 0.0 109.938 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.778 HD12 ' HG1' ' A' ' 28' ' ' THR . 96.7 mt -63.97 -49.11 83.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.949 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 89.8 mttt -61.34 -32.85 72.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.848 0.356 . . . . 0.0 111.263 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.95 -10.35 56.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.63 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -129.27 4.59 5.21 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 11.5 ptm180 -65.69 -20.44 66.29 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.029 0.442 . . . . 0.0 110.807 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -69.73 -36.04 75.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.534 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -83.1 -30.75 27.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.229 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.5 m0 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.84 179.705 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt . . . . . 0 CA--C 1.529 0.171 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -58.67 -42.79 89.27 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 111.362 0.134 . . . . 0.0 111.362 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.9 -46.53 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.925 0.393 . . . . 0.0 110.76 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.68 -47.94 70.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -63.25 -30.56 71.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.059 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.568 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 6.4 m95 -61.04 -47.1 87.98 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.228 172.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.778 ' HG1' HD12 ' A' ' 11' ' ' ILE . 5.6 m -67.77 -41.43 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.171 177.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -54.74 -50.29 68.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.901 -173.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.448 HG22 HD12 ' A' ' 70' ' ' LEU . 14.6 m -68.42 -43.16 77.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.551 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.49 -41.5 88.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.964 0.411 . . . . 0.0 110.525 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -58.69 -37.57 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.314 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.5 m -79.7 -55.45 5.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.85 -173.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.22 -49.81 9.69 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.3 m -84.97 -32.25 23.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.506 -171.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.455 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -44.45 -63.82 2.28 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 123.758 0.661 . . . . 0.0 114.644 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.97 -18.1 63.38 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.905 2.403 . . . . 0.0 113.845 -175.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 t -108.2 -77.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.678 -175.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.527 ' HA ' HD11 ' A' ' 42' ' ' LEU . 32.5 pt -94.92 3.52 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 111.512 -174.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -55.74 -63.99 4.79 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.968 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 10.4 Cg_exo -72.45 -5.78 17.8 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.92 2.413 . . . . 0.0 112.853 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 39' ' ' ILE . 73.0 mt -76.36 141.4 41.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.888 0.375 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.407 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 13.8 m -65.2 141.85 58.52 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.912 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.72 -24.47 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -83.86 -21.34 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.34 0.59 . . . . 0.0 110.291 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' A' ' 43' ' ' SER . 1.7 m-20 -88.86 -28.56 20.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.019 -175.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.525 ' HA ' HD13 ' A' ' 51' ' ' LEU . 61.4 t -65.73 116.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.805 0.336 . . . . 0.0 110.302 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.448 ' OD1' ' HG ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -113.33 -174.7 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.336 -179.482 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.486 HG21 ' HE2' ' A' ' 53' ' ' MET . 25.6 m -59.97 -42.35 93.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.707 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -69.0 -40.09 78.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.725 0.297 . . . . 0.0 110.454 -175.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 47' ' ' VAL . 77.2 mt -61.7 -38.81 89.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.762 177.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' A' ' 93' ' ' ALA . 81.0 mt -68.93 -36.36 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.424 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.486 ' HE2' HG21 ' A' ' 49' ' ' THR . 63.2 mtt -56.8 -45.13 82.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.762 176.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 40.4 mtpt -59.13 -36.53 75.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.383 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.63 -44.13 70.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.957 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.35 -30.15 57.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.535 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.7 t70 -48.3 -55.22 19.69 Favored Pre-proline 0 N--CA 1.472 0.673 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 60.6 Cg_endo -73.63 -14.14 24.67 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.968 1.779 . . . . 0.0 112.976 -179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.9 mt -80.41 -31.02 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 122.326 -0.234 . . . . 0.0 110.446 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -61.28 -24.41 66.38 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.094 0.473 . . . . 0.0 110.552 175.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 7.5 mm-40 -69.9 -46.94 64.33 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.741 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HG2' ' HG3' ' A' ' 63' ' ' LYS . 26.9 tt0 -87.82 -59.07 2.35 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.142 -173.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.511 ' HB2' ' HB ' ' A' ' 66' ' ' THR . 21.9 mtpp -137.83 86.93 17.46 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.99 -171.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.57 -50.03 15.46 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.038 2.492 . . . . 0.0 113.617 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 36.3 tt0 -66.41 -35.72 81.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.005 0.431 . . . . 0.0 110.44 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' A' ' 63' ' ' LYS . 80.2 m -69.98 -32.73 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.645 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.33 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.487 . . . . 0.0 109.922 173.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 m -68.98 -41.57 77.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.678 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 66' ' ' THR . 82.0 mtm180 -68.51 -34.71 76.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.357 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.503 ' O ' HG13 ' A' ' 74' ' ' ILE . 58.7 tp -66.45 -45.83 78.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -39.41 84.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.403 178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.67 -43.74 98.68 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.595 -0.729 . . . . 0.0 113.035 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.568 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 18.4 ptp180 -72.93 -34.23 66.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.148 0.474 . . . . 0.0 110.818 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 70' ' ' LEU . 77.9 mt -59.6 -39.79 80.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 110.605 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.98 -48.16 73.62 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.445 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.2 m -62.59 -36.34 82.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.683 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.7 t -71.19 -49.17 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.12 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 92' ' ' PRO . 88.9 mt -64.44 -42.42 95.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.707 -176.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -68.77 -29.22 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.173 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -69.51 -40.15 77.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.026 0.441 . . . . 0.0 110.169 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.71 76.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.174 176.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.622 HG22 ' HA2' ' A' ' 89' ' ' GLY . 29.7 m -63.42 -42.56 98.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.013 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 79' ' ' ASP . 66.9 t -62.25 -39.02 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.046 0.451 . . . . 0.0 110.255 177.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -76.86 -6.09 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.587 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.09 29.76 56.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.841 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -84.31 -26.86 28.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.358 . . . . 0.0 110.568 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -146.42 175.19 10.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.561 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -79.4 167.65 20.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.654 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.622 ' HA2' HG22 ' A' ' 82' ' ' THR . . . -72.74 169.99 51.77 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.91 -0.586 . . . . 0.0 113.766 -175.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 48.9 t0 65.58 124.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 122.33 1.062 . . . . 0.0 111.306 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.428 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 30.6 t-20 -84.01 139.42 39.82 Favored Pre-proline 0 C--N 1.316 -0.881 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.916 -167.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.428 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 57.6 Cg_endo -74.39 -21.38 17.42 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.661 2.241 . . . . 0.0 112.563 175.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' A' ' 52' ' ' ILE . . . -95.39 11.95 30.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.903 0.382 . . . . 0.0 110.621 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 95' ' ' TRP . 65.7 ttt180 -65.25 -73.88 0.12 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.143 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.413 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 1.6 m-90 72.11 132.62 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.872 0.844 . . . . 0.0 112.637 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 96' ' ' ARG . 45.4 mtp180 -98.83 -32.73 11.2 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.513 174.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.01 75.14 0.18 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.022 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -70.16 -59.39 2.92 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--N 1.325 -0.482 0 CA-C-O 121.488 0.661 . . . . 0.0 109.277 171.702 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.446 0.165 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 53.0 p -103.09 165.59 10.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -64.47 -40.63 96.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.252 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -59.23 -47.39 85.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.72 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 47.4 mt-10 -61.57 -49.55 76.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.994 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.612 ' SG ' ' HB1' ' A' ' 81' ' ' ALA . 33.7 t -63.08 -47.71 81.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.986 -175.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.85 81.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.875 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.68 96.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 83.0 mt -63.04 -39.34 94.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.919 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -57.61 -49.76 75.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.331 0.586 . . . . 0.0 110.695 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.56 -46.74 79.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.912 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 58.2 mtpt -65.69 -34.01 77.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.54 -34.1 65.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 0.0 111.378 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -96.47 0.05 49.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.731 0.301 . . . . 0.0 110.628 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.562 ' HA ' ' HB2' ' A' ' 18' ' ' TRP . 13.3 ptm180 -66.2 -24.5 66.63 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 120.65 0.262 . . . . 0.0 110.783 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -57.28 -42.73 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.154 0.502 . . . . 0.0 110.421 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 m -86.98 -8.41 57.23 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.562 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 36.5 m0 . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.23 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.455 ' HE3' ' HB2' ' A' ' 22' ' ' LYS . 18.3 ptmt . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.476 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 5.2 p80 -57.96 -29.46 65.22 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.761 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.52 80.61 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.184 0.516 . . . . 0.0 110.48 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -67.18 -42.61 83.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.126 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.63 -38.22 77.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.584 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.476 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 16.2 m95 -58.45 -52.0 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.973 0.416 . . . . 0.0 110.514 174.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -64.99 -45.47 85.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.557 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -58.79 -46.36 87.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.243 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 p -70.78 -47.24 60.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.457 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.23 -41.31 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.151 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -37.44 76.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.243 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.6 m -81.88 -52.48 7.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.602 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -79.84 -49.7 11.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.6 m -94.01 -23.34 18.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -171.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.71 -64.73 3.49 Favored Glycine 0 CA--C 1.523 0.538 0 O-C-N 123.494 0.496 . . . . 0.0 113.843 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.16 -4.99 10.1 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.923 2.416 . . . . 0.0 113.764 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.71 -65.81 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.564 0.221 . . . . 0.0 111.544 -176.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 42' ' ' LEU . 29.9 pt -114.69 3.6 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -173.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.98 -63.99 4.76 Favored Glycine 0 CA--C 1.526 0.727 0 O-C-N 123.299 0.375 . . . . 0.0 113.898 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.48 3.95 5.92 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.656 2.237 . . . . 0.0 113.41 -178.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 39' ' ' ILE . 87.2 mt -82.13 163.69 21.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 46.6 t -70.27 150.8 46.0 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.075 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.518 HG12 ' HB3' ' A' ' 87' ' ' ARG . 11.8 p -66.55 -18.86 24.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.205 0.526 . . . . 0.0 110.584 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' HB3' ' HB2' ' A' ' 87' ' ' ARG . 3.3 pt20 -103.77 -9.35 19.13 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 122.06 -0.4 . . . . 0.0 111.548 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.538 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 5.1 m-20 -93.0 4.78 53.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 175.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.95 104.36 2.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 171.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 52' ' ' ILE . 55.7 m-20 -88.77 165.32 14.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.451 0.643 . . . . 0.0 111.533 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 53' ' ' MET . 23.0 m -66.97 -41.36 86.96 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.815 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 53' ' ' MET . 2.6 tmtm? -69.67 -32.69 71.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.428 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 43.6 mt -65.95 -38.63 89.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.301 . . . . 0.0 111.084 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 48' ' ' ASP . 43.4 mt -68.38 -34.38 65.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.921 0.391 . . . . 0.0 110.327 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.3 mtt -55.5 -41.86 73.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.723 175.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' A' ' 51' ' ' LEU . 26.6 mtpp -56.07 -38.15 70.28 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.122 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 59' ' ' ILE . 39.9 t -77.98 -48.22 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.86 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.4 mt -72.42 -37.0 68.73 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -170.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.55 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 16.9 t70 -51.43 -55.19 31.26 Favored Pre-proline 0 N--CA 1.472 0.627 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -173.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 37.1 Cg_endo -68.49 -23.26 37.61 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.173 1.915 . . . . 0.0 112.386 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 55' ' ' VAL . 57.0 mt -73.88 -25.86 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.598 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.514 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 85.1 m95 -60.33 -26.36 66.51 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.732 0.301 . . . . 0.0 111.4 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -81.68 -31.7 32.12 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.782 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 62' ' ' GLN . 15.8 mm-40 -90.63 -58.45 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.421 -176.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -140.4 85.15 13.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.8 -175.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.85 -37.33 94.33 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.33 2.02 . . . . 0.0 112.329 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.02 -46.23 88.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.405 0.621 . . . . 0.0 110.34 178.057 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.0 m -71.41 -34.44 70.35 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.064 -177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.76 96.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.97 0.414 . . . . 0.0 110.907 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.5 p -71.43 -34.84 70.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 48.3 mtp180 -71.97 -35.06 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.343 . . . . 0.0 111.155 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 74' ' ' ILE . 49.7 tp -61.63 -39.98 93.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.141 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -56.34 -46.35 79.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.644 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.02 -40.38 95.17 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.729 -0.668 . . . . 0.0 113.178 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -71.61 -33.92 69.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.127 0.464 . . . . 0.0 110.834 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 70' ' ' LEU . 79.9 mt -64.33 -44.03 97.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 174.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.15 -43.73 70.83 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -60.28 -40.96 92.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.339 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.1 -48.76 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.094 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.433 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 87.4 mt -60.41 -41.84 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.81 -43.6 95.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.834 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -59.4 -47.01 87.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.746 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.612 ' HB1' ' SG ' ' A' ' 6' ' ' CYS . . . -62.83 -35.97 81.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.252 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.2 m -62.72 -47.45 83.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.439 0.161 . . . . 0.0 110.695 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.64 -44.02 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.927 0.394 . . . . 0.0 110.708 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -68.72 -25.5 64.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.29 30.44 8.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.724 . . . . 0.0 113.036 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -100.6 1.61 40.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.942 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.518 ' HB3' HG12 ' A' ' 44' ' ' VAL . 8.9 ptm180 -163.73 174.41 11.68 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.45 -179.03 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.937 0.399 . . . . 0.0 111.339 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.27 25.39 22.61 Favored Glycine 0 C--N 1.33 0.21 0 N-CA-C 115.025 0.77 . . . . 0.0 115.025 -167.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -116.01 140.02 49.68 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 117.188 0.494 . . . . 0.0 110.494 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -119.45 90.22 42.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.623 0.249 . . . . 0.0 111.065 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.33 -10.63 11.25 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.671 2.914 . . . . 0.0 113.824 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.17 -9.24 58.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 110.639 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -95.2 131.4 41.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 172.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.753 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -123.25 128.76 50.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -167.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -115.61 -15.89 11.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.706 168.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.55 44.36 1.27 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.75 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.753 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 18.8 t80 -110.15 133.11 53.55 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 N--CA 1.445 -0.68 0 O-C-N 123.697 0.623 . . . . 0.0 110.804 -178.652 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 tpp . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.893 0.378 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.9 p -95.52 164.14 12.92 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.17 -40.0 92.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.4 m -58.8 -46.91 86.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.634 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.8 mt-10 -62.33 -48.91 77.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -63.33 -46.79 85.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.41 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.86 98.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.731 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.83 94.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.01 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 72.1 mt -64.15 -41.74 97.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.713 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -57.85 -45.7 85.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.134 0.492 . . . . 0.0 110.211 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.737 HD13 ' HG1' ' A' ' 28' ' ' THR . 99.3 mt -69.83 -49.82 54.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.327 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.64 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 55.0 tttm -65.59 -34.89 79.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.58 -175.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.36 2.65 20.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.2 -0.312 . . . . 0.0 111.449 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -136.7 6.17 2.93 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 111.4 0.148 . . . . 0.0 111.4 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 13.9 ptm180 -64.29 -39.72 94.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 0.0 110.789 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 m -71.16 -21.09 62.22 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.193 0.52 . . . . 0.0 110.8 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -80.63 -40.19 26.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.242 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.9 m0 . . . . . 0 C--O 1.235 0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.443 -177.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HZ3' ' CG ' ' A' ' 25' ' ' ASP . 25.2 mmmt . . . . . 0 C--O 1.226 -0.176 0 CA-C-O 120.745 0.307 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -45.9 92.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.678 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -35.29 79.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.134 0.493 . . . . 0.0 110.477 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.473 ' CG ' ' HZ3' ' A' ' 22' ' ' LYS . 10.6 t70 -63.27 -46.87 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.893 177.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -57.38 -40.55 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.641 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.531 ' CE3' ' HG3' ' A' ' 73' ' ' ARG . 40.4 m95 -60.0 -51.25 70.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.778 0.323 . . . . 0.0 111.01 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.737 ' HG1' HD13 ' A' ' 11' ' ' ILE . 15.3 m -69.91 -46.68 64.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.615 -177.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.82 -49.83 76.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.022 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.52 HG22 HD13 ' A' ' 70' ' ' LEU . 13.3 m -65.77 -46.72 77.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.591 0.234 . . . . 0.0 111.298 -175.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.8 mt -64.41 -45.01 97.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.807 0.337 . . . . 0.0 110.837 -178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -58.8 -38.28 78.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.43 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.0 m -82.54 -53.5 5.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.002 -172.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -81.12 -49.17 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.498 ' SG ' HD12 ' A' ' 70' ' ' LEU . 62.9 m -81.73 -27.37 33.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -174.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.499 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -46.59 -64.1 2.78 Favored Glycine 0 CA--C 1.527 0.809 0 O-C-N 123.758 0.661 . . . . 0.0 114.432 -176.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -63.14 -9.41 17.11 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.895 2.397 . . . . 0.0 114.367 -174.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.4 t -115.59 -78.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.467 -177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.6 pt -93.57 -5.62 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.541 -173.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.85 -63.61 4.38 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 123.586 0.554 . . . . 0.0 113.623 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 4.4 Cg_exo -80.83 5.64 6.05 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.979 2.452 . . . . 0.0 113.012 -178.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.3 mt -87.57 156.75 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 m -61.13 135.91 57.91 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.637 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.31 -24.98 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.703 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -80.3 -34.44 36.85 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.26 -18.43 62.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.987 -175.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.498 ' HA ' HD12 ' A' ' 51' ' ' LEU . 60.8 t -62.21 108.5 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -122.76 -173.34 2.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.572 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.457 ' OG1' ' HB3' ' A' ' 92' ' ' PRO . 6.9 m -58.93 -42.18 89.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.748 -176.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.14 -45.39 94.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.138 0.494 . . . . 0.0 110.609 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 47' ' ' VAL . 85.7 mt -65.74 -39.79 91.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.077 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -69.48 -41.14 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.1 mtt -59.45 -41.33 89.4 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.458 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 39.9 mtpt -56.74 -37.92 71.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.312 . . . . 0.0 111.37 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.98 -49.2 40.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.98 -33.82 63.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -172.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.548 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 11.1 t70 -48.25 -56.21 15.14 Favored Pre-proline 0 N--CA 1.47 0.55 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 58.0 Cg_endo -72.83 -16.16 26.34 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 121.866 1.711 . . . . 0.0 113.056 -178.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mt -78.4 -29.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.219 -0.192 . . . . 0.0 110.802 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -57.44 -32.89 67.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.847 0.356 . . . . 0.0 111.699 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -77.9 -32.74 51.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.65 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -91.11 -56.68 3.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.602 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -141.25 80.32 16.82 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.256 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.62 -44.0 34.93 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.923 2.415 . . . . 0.0 113.03 -174.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -62.48 -40.08 95.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.162 0.505 . . . . 0.0 110.668 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -65.91 -36.25 82.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.89 98.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.891 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.407 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 11.1 t -69.2 -39.9 78.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.95 -35.66 79.09 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.52 HD13 HG22 ' A' ' 30' ' ' THR . 62.9 tp -63.24 -39.23 94.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.321 176.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HE ' ' HA ' ' A' ' 68' ' ' SER . 40.8 mtm105 -59.22 -41.57 88.95 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.166 176.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.39 -37.67 93.52 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.163 -0.542 . . . . 0.0 112.048 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.531 ' HG3' ' CE3' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -63.92 -50.24 69.49 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.602 0.239 . . . . 0.0 110.425 175.598 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 56.2 mt -66.29 -44.07 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.26 -47.95 74.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -66.08 -36.89 84.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.293 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 73' ' ' ARG . 89.4 t -70.62 -44.37 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.732 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.3 mt -64.33 -38.66 91.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.727 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.55 -46.99 87.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.044 0.449 . . . . 0.0 110.305 175.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.426 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 70.3 t90 -60.93 -47.15 87.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.167 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.68 -31.06 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.308 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.44 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 96.6 m -65.94 -49.26 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.614 176.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.9 t -66.99 -32.04 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 25.9 mmm180 -80.75 -11.54 59.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.44 35.53 32.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.208 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -96.24 -19.12 19.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.854 0.359 . . . . 0.0 110.619 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -153.63 176.37 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.59 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.6 169.31 17.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.277 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.44 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -86.39 16.44 44.49 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.91 -0.586 . . . . 0.0 114.344 -170.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.425 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 24.5 t70 -98.15 133.69 42.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -116.29 89.33 25.91 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.539 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.457 ' HB3' ' OG1' ' A' ' 49' ' ' THR . 16.2 Cg_exo -68.04 -3.89 11.48 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.359 2.706 . . . . 0.0 113.409 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.56 -14.02 55.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.243 0.544 . . . . 0.0 110.462 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -105.85 131.74 52.81 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.898 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.412 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 1.4 m-90 -117.24 148.12 41.92 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.11 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -104.62 -20.19 13.74 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -128.62 -88.13 0.56 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.912 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.412 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 31.5 t80 60.98 -73.76 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.741 0.816 . . . . 0.0 112.395 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--O 1.233 0.203 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.11 -176.242 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.0 tpp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p -95.62 170.12 9.55 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.49 -36.88 83.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.867 0.365 . . . . 0.0 110.064 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 t -63.57 -43.65 96.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.241 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 38.7 mt-10 -64.7 -49.47 70.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.078 0.466 . . . . 0.0 111.056 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 t -65.46 -39.94 92.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.938 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.41 85.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.523 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.32 75.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.995 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 92.7 mt -67.63 -41.2 84.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.38 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -56.83 -46.78 81.47 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.38 0.609 . . . . 0.0 109.737 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.43 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 97.0 mt -59.63 -48.57 86.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.08 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 60.6 mttm -60.57 -40.46 91.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.635 0.255 . . . . 0.0 111.658 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.68 -4.72 24.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.775 0.321 . . . . 0.0 111.735 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -128.71 9.97 5.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.83 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 18.6 mmm180 -59.67 -39.44 84.5 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.208 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -59.33 -34.96 72.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.078 0.466 . . . . 0.0 111.165 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 m -82.19 -15.96 51.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.713 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -111.97 36.09 3.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.98 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.738 ' HB2' ' HG1' ' A' ' 21' ' ' THR . 68.8 mmtt 76.85 -156.75 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 116.876 -1.535 . . . . 0.0 109.785 171.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.503 ' C ' ' HB3' ' A' ' 19' ' ' LYS . 13.9 m120 -51.64 98.86 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 121.056 3.724 . . . . 0.0 121.056 65.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.738 ' HG1' ' HB2' ' A' ' 19' ' ' LYS . 7.6 p -144.76 168.68 19.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 112.668 -2.06 . . . . 0.0 109.286 160.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 21.0 mtpt -85.91 10.26 14.46 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.496 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 69.0 m-70 -62.92 -42.23 99.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.22 84.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.23 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.61 -45.61 86.13 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.406 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -58.26 -42.16 85.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.462 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.496 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 23.6 m95 -60.29 -51.53 69.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.719 0.295 . . . . 0.0 110.394 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -61.14 -48.8 79.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.992 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.4 -46.82 84.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.992 -173.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m -60.93 -48.1 83.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.811 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.43 -44.6 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.791 -178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.629 ' HB3' ' HZ2' ' A' ' 32' ' ' LYS . 4.1 ttpm? -59.62 -34.91 73.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.5 m -82.37 -53.03 6.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.821 -175.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -79.32 -49.24 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -95.37 -15.97 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.329 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 32' ' ' LYS . . . -54.64 -64.62 4.16 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.877 -0.601 . . . . 0.0 114.108 -175.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.0 -7.93 14.74 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.783 2.322 . . . . 0.0 113.473 -176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 t -107.57 -71.61 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 0.0 111.442 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.9 pt -107.23 -0.4 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.531 -174.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.52 -63.59 4.78 Favored Glycine 0 CA--C 1.522 0.488 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.321 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.87 5.17 5.86 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.662 2.241 . . . . 0.0 112.988 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 39' ' ' ILE . 85.9 mt -87.92 155.59 19.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.526 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 39.5 t -63.86 137.76 58.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.573 0.225 . . . . 0.0 110.448 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.18 -18.87 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.398 0.618 . . . . 0.0 110.13 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.859 HE21 ' HA ' ' A' ' 87' ' ' ARG . 32.8 tt0 -85.03 -32.05 23.11 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.185 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.526 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 4.1 m-20 -91.24 10.2 28.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.919 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 43' ' ' SER . 96.3 t -70.23 120.74 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -115.18 163.59 15.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.99 0.424 . . . . 0.0 111.094 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -61.14 -37.83 84.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.567 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 7.8 ttmm -58.16 -45.37 87.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.2 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 55' ' ' VAL . 79.5 mt -63.77 -41.69 97.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.847 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 93' ' ' ALA . 60.8 mt -68.11 -43.12 85.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.844 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 72.8 mtm -64.89 -34.18 77.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.056 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 55.9 mtpt -60.83 -37.1 80.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.048 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 59' ' ' ILE . 40.2 t -77.25 -49.27 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.1 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.38 -36.0 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -171.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.644 ' HA ' ' HD1' ' A' ' 60' ' ' TRP . 7.7 t70 -56.93 -52.79 71.3 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -173.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 52.0 Cg_exo -52.66 -38.01 75.82 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.262 1.974 . . . . 0.0 112.663 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 55' ' ' VAL . 57.3 mt -67.61 -33.09 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.332 -175.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.644 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 91.5 m95 -57.37 -34.34 68.74 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 111.41 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -67.11 -44.8 79.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.542 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -91.79 -53.24 4.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.015 -175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -133.65 79.55 58.8 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.795 -173.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.21 -32.9 50.99 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.364 2.043 . . . . 0.0 111.744 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.52 -43.67 93.31 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.274 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.8 m -68.83 -37.65 79.32 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.731 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.48 97.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.604 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.0 m -63.85 -45.24 90.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.639 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -67.19 -40.32 86.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.891 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 74' ' ' ILE . 56.5 tp -67.82 -37.82 82.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.685 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.455 ' O ' ' HD2' ' A' ' 71' ' ' ARG . 2.6 tmm_? -59.22 -40.95 87.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.85 -38.9 96.8 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.289 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -64.78 -43.72 92.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.583 0.23 . . . . 0.0 110.777 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 70' ' ' LEU . 68.8 mt -60.54 -41.55 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.601 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -47.79 84.11 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.476 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.8 m -62.81 -40.47 97.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.913 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.62 -47.49 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.051 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.498 HD11 ' HD2' ' A' ' 92' ' ' PRO . 85.3 mt -67.05 -34.17 77.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.278 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 83' ' ' VAL . 10.1 t70 -62.27 -46.4 88.96 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.415 ' CZ2' ' HG3' ' A' ' 84' ' ' ARG . 90.7 t90 -61.44 -44.71 96.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.461 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -36.7 77.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.396 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.4 m -66.6 -43.11 85.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.74 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 79' ' ' ASP . 59.8 t -65.61 -42.83 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.073 0.463 . . . . 0.0 110.658 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.415 ' HG3' ' CZ2' ' A' ' 80' ' ' TRP . 9.6 mmm180 -69.28 -25.58 64.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.701 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.24 56.51 1.57 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.136 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -123.08 8.46 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.859 ' HA ' HE21 ' A' ' 45' ' ' GLN . 8.2 ptm85 -167.92 -39.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 121.205 -0.198 . . . . 0.0 111.502 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.47 177.65 0.08 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.48 0.712 . . . . 0.0 112.397 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.19 -126.26 7.3 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.814 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -137.49 -176.03 4.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -101.08 143.13 26.0 Favored Pre-proline 0 N--CA 1.441 -0.917 0 CA-C-O 120.93 0.395 . . . . 0.0 111.886 -172.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.498 ' HD2' HD11 ' A' ' 78' ' ' LEU . 69.3 Cg_endo -78.37 -13.19 15.27 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.595 2.196 . . . . 0.0 111.739 175.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -98.76 6.83 46.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.557 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -66.88 -54.19 24.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.101 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 67.25 119.98 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.605 0.717 . . . . 0.0 112.271 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -88.98 9.03 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.742 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 150.68 84.81 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.074 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -91.24 157.06 17.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 80.4 mt 58.7 17.47 5.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.096 0.558 . . . . 0.0 111.458 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 104' ' ' HIS . 12.4 tp10 -65.54 156.21 33.29 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.837 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 75.21 -43.15 0.5 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.742 0.817 . . . . 0.0 111.377 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -87.55 -44.57 11.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.034 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -146.83 -73.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.409 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 4.9 t-160 58.96 -95.51 0.06 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.977 0.511 . . . . 0.0 110.075 -172.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 14.8 t-80 169.62 -90.96 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 . . . . . 0 C--O 1.244 0.805 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.405 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 ttm . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.127 0.489 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 47.9 p -83.84 171.28 13.25 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.048 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -67.09 -34.55 77.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -59.26 -47.22 86.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.185 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 38.5 mt-10 -63.85 -49.72 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.213 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.1 -49.35 72.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.249 -175.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 11' ' ' ILE . . . -57.71 -44.29 85.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.821 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.36 94.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.318 . . . . 0.0 110.689 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 82.0 mt -63.29 -43.08 98.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.654 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -60.71 -46.95 88.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.568 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.686 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 91.1 mt -58.41 -44.72 89.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.83 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 86.1 mttt -71.02 -37.86 72.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.636 0.255 . . . . 0.0 111.206 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.39 -40.45 64.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.594 -176.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -103.85 12.93 33.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.742 0.306 . . . . 0.0 111.042 -173.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.686 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 16.3 ptm180 -67.29 -30.51 70.39 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.608 -177.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -74.82 -14.44 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.165 0.507 . . . . 0.0 110.626 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -83.2 -12.53 56.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.414 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.41 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 16.7 m0 -111.45 36.5 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.78 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.75 ' HB2' HG21 ' A' ' 21' ' ' THR 0.316 27.3 mtpp 76.68 -151.6 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 116.572 -1.68 . . . . 0.0 109.001 -174.194 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.497 ' C ' ' HB3' ' A' ' 19' ' ' LYS . 93.7 m-20 -53.73 100.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 121.27 3.804 . . . . 0.0 121.27 66.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.75 HG21 ' HB2' ' A' ' 19' ' ' LYS . 18.5 p -112.71 -174.76 2.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.28 156.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -91.92 9.27 33.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.209 0.528 . . . . 0.0 109.997 171.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -62.34 -31.82 72.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.706 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.9 76.21 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.89 0.376 . . . . 0.0 110.623 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.54 -45.52 65.36 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.202 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -58.42 -31.32 67.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.455 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.568 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 16.5 m95 -77.11 -52.71 8.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.871 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.5 m -65.7 -46.97 76.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.98 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -55.25 -49.33 72.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.705 -175.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 p -73.45 -41.28 63.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.584 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.95 -39.83 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.637 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.96 -37.41 76.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.97 0.414 . . . . 0.0 110.553 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.1 m -81.1 -52.02 7.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.033 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.53 -50.22 11.96 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.8 m -92.07 -24.24 19.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.09 -64.48 3.53 Favored Glycine 0 CA--C 1.525 0.709 0 O-C-N 123.648 0.592 . . . . 0.0 114.105 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.98 -16.06 40.51 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.567 2.178 . . . . 0.0 113.384 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.563 HG12 HG23 ' A' ' 55' ' ' VAL . 40.5 t -91.9 -68.05 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.409 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.512 ' HA ' HD13 ' A' ' 42' ' ' LEU . 24.1 pt -113.95 5.39 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.476 -175.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.4 -63.96 4.61 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.295 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.39 1.18 8.66 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.77 2.313 . . . . 0.0 113.031 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.512 HD13 ' HA ' ' A' ' 39' ' ' ILE . 82.1 mt -83.69 146.27 28.31 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 20.7 t -65.01 146.21 55.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.871 0.367 . . . . 0.0 110.513 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -64.95 -21.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.307 0.575 . . . . 0.0 109.605 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -72.58 -39.69 67.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.368 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 43' ' ' SER . 27.9 m-20 -73.75 -16.09 61.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -174.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.455 ' HB ' ' NH2' ' A' ' 87' ' ' ARG . 62.1 t -59.0 111.15 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.113 0.482 . . . . 0.0 110.892 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 52' ' ' ILE . 10.9 t70 -122.25 165.51 16.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.357 -176.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.459 ' O ' ' HG3' ' A' ' 53' ' ' MET . 1.2 m -53.89 -42.68 68.93 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.704 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.63 -44.93 96.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.152 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 55' ' ' VAL . 84.2 mt -67.91 -42.13 81.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.334 -176.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 48' ' ' ASP . 64.0 mt -59.64 -40.51 82.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.841 0.353 . . . . 0.0 110.589 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 49' ' ' THR . 65.6 mtt -59.53 -40.17 86.31 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.477 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.982 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 8.9 mmpt? -70.14 -37.26 75.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.563 HG23 HG12 ' A' ' 38' ' ' VAL . 48.7 t -61.38 -44.66 98.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.171 0.51 . . . . 0.0 110.425 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.4 mt -79.1 -24.48 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.123 -175.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.538 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 5.3 t0 -48.61 -57.79 10.03 Favored Pre-proline 0 N--CA 1.47 0.564 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -173.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 69.7 Cg_endo -73.55 -14.7 24.82 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.012 1.808 . . . . 0.0 111.972 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mm -79.59 -35.01 16.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.359 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -59.66 -25.64 64.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 111.524 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.52 -30.84 33.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.515 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -100.61 -51.45 3.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.435 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.37 80.15 40.43 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.076 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.44 -51.64 7.01 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.822 2.348 . . . . 0.0 113.037 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 3.7 mp0 -62.27 -39.42 92.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 120.877 0.37 . . . . 0.0 110.503 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.3 m -66.67 -36.26 82.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.813 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.11 -41.7 88.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.122 0.487 . . . . 0.0 110.258 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 m -68.26 -43.17 78.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.541 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 44.0 mtp180 -66.75 -41.01 88.48 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' HG13 ' A' ' 74' ' ' ILE . 68.0 tp -63.0 -43.7 98.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.065 177.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -59.16 -38.77 80.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.144 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.13 -39.67 97.46 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.036 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.568 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 66.3 mtm180 -71.36 -37.52 71.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.839 0.352 . . . . 0.0 110.263 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 70' ' ' LEU . 74.2 mt -60.62 -40.82 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.116 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.67 -44.29 81.25 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.831 176.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.21 -39.69 95.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.515 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.72 -49.28 71.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.938 0.399 . . . . 0.0 110.759 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.55 -32.01 72.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.55 -47.56 85.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.246 0.546 . . . . 0.0 109.625 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -61.21 -43.91 98.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.294 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -60.39 -36.42 78.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.1 m -66.27 -44.21 84.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.61 -36.68 75.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.677 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.49 -24.95 63.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.705 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.89 26.31 13.05 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.49 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.409 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 15.3 m-85 -88.18 -6.28 57.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.272 0.558 . . . . 0.0 109.674 177.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' NH2' ' HB ' ' A' ' 47' ' ' VAL . 6.2 ptp180 -161.29 166.9 26.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.201 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.68 169.18 17.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.866 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.97 -123.56 7.88 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.707 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -125.93 170.5 11.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.436 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 58.7 t30 -101.36 91.95 2.39 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 0.0 111.193 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 37.9 Cg_endo -62.01 5.19 0.23 Allowed 'Trans proline' 0 N--CA 1.481 0.779 0 C-N-CA 124.338 3.359 . . . . 0.0 114.705 -171.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.54 -23.51 20.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -82.37 -48.23 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -174.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 67.36 144.29 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.568 0.699 . . . . 0.0 112.656 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -87.01 -30.58 21.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.661 0.743 . . . . 0.0 109.547 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.23 94.16 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.378 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -60.0 -63.2 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.316 . . . . 0.0 110.928 -174.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.1 mt -111.08 -53.81 2.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.117 0.484 . . . . 0.0 111.026 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -152.08 151.47 31.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.745 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -132.1 78.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.003 0.43 . . . . 0.0 110.923 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -79.73 85.49 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 62.74 -167.05 0.21 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -148.6 139.43 22.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -150.54 164.58 35.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.052 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 50.7 t60 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.008 176.131 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.96 0.41 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 55.9 p -96.45 169.05 10.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.158 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.89 -43.03 99.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.491 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.1 m -60.92 -46.82 89.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.037 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.6 mt-10 -61.12 -47.06 88.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.129 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' SG ' ' HB3' ' A' ' 81' ' ' ALA . 11.9 t -63.98 -46.6 83.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.774 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.29 77.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.391 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -59.72 -41.92 91.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.255 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 93.0 mt -61.07 -44.77 96.87 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.977 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -57.94 -47.12 83.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.383 0.611 . . . . 0.0 110.044 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -59.96 -48.84 86.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.033 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 92.9 mttt -62.15 -39.15 91.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.316 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.91 -25.46 65.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.949 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -123.21 20.09 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.859 0.362 . . . . 0.0 111.048 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.441 ' HD2' ' HA ' ' A' ' 12' ' ' LYS . 8.8 ptm180 -75.37 -31.2 60.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.162 -173.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m -70.7 -22.62 62.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.147 0.499 . . . . 0.0 110.91 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -80.06 -24.28 40.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.84 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -94.93 47.24 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.441 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 34.2 tptt -123.1 125.35 45.01 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -175.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 47.0 t30 -114.79 90.59 3.38 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.588 8.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.8 p -134.11 162.29 32.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.908 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HB3' ' HE3' ' A' ' 22' ' ' LYS . 29.1 mtpp -95.31 31.03 2.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.835 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.445 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 85.0 m-70 -64.29 -39.03 93.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.023 175.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.9 82.44 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.968 0.414 . . . . 0.0 110.55 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 9.9 t70 -62.44 -51.88 65.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.689 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.454 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 14.6 mm-40 -60.41 -38.49 84.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.924 -177.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.445 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 11.5 m95 -58.14 -51.26 70.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.39 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -69.1 -45.9 69.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.882 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 25' ' ' ASP . 8.7 t-20 -57.51 -44.28 84.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.706 -172.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 m -70.04 -50.16 44.04 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.857 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.28 -40.58 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.008 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -58.81 -37.07 75.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.425 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -81.88 -54.38 5.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.044 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.01 -50.16 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.6 m -85.98 -28.79 24.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.549 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.554 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -45.5 -63.92 2.55 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.658 -0.701 . . . . 0.0 114.34 -177.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.86 -17.72 14.54 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.052 2.501 . . . . 0.0 114.388 -176.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.9 t -117.43 -76.91 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.819 -176.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.527 ' HA ' HD13 ' A' ' 42' ' ' LEU . 34.9 pt -93.0 -2.64 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -171.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.65 -63.24 5.5 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.244 -0.503 . . . . 0.0 113.214 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 4.7 Cg_exo -77.8 5.31 5.37 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.933 2.422 . . . . 0.0 112.832 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 39' ' ' ILE . 72.6 mt -83.86 145.14 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.522 ' O ' HG22 ' A' ' 47' ' ' VAL . 8.9 m -59.26 139.95 56.47 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 122.769 0.428 . . . . 0.0 111.016 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.85 -15.4 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 121.698 0.761 . . . . 0.0 110.538 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -86.78 -21.79 26.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.475 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -93.88 -31.28 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.118 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.545 ' HA ' HD13 ' A' ' 51' ' ' LEU . 92.5 t -53.34 110.5 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.86 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.9 174.32 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.766 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.595 ' O ' ' HG3' ' A' ' 53' ' ' MET . 4.8 m -66.37 -37.08 84.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.381 173.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -54.54 -46.55 73.62 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.055 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' A' ' 47' ' ' VAL . 76.2 mt -65.3 -40.4 93.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.785 -177.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.549 HG23 HH11 ' A' ' 71' ' ' ARG . 82.9 mt -69.51 -33.99 59.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.31 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.2 mtt -54.78 -43.76 73.12 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 110.754 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.75 -38.01 89.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.016 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.66 -38.66 76.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.838 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.495 HD13 ' HD3' ' A' ' 71' ' ' ARG . 74.9 mt -77.53 -23.17 50.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.179 -175.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.57 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 15.1 t70 -45.23 -57.28 7.6 Favored Pre-proline 0 N--CA 1.472 0.657 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -175.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 56.0 Cg_endo -71.04 -10.5 27.63 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.194 1.929 . . . . 0.0 112.704 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.419 HD12 HD23 ' A' ' 56' ' ' LEU . 48.1 mt -88.56 -34.92 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.742 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -59.19 -31.23 68.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -70.61 -31.85 68.99 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 62' ' ' GLN . 12.6 mm-40 -93.52 -61.54 1.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.169 -175.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -145.93 87.11 6.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.898 -169.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.26 -35.26 98.87 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.819 2.346 . . . . 0.0 112.322 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -66.08 -38.66 88.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.977 0.417 . . . . 0.0 110.715 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.4 m -66.6 -36.94 83.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.173 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.29 98.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.1 m -62.97 -41.17 99.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.765 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.31 -32.47 73.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 74' ' ' ILE . 48.4 tp -69.08 -44.56 72.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.734 ' CZ ' ' HA ' ' A' ' 93' ' ' ALA . 12.3 mmm180 -63.87 -36.31 83.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.454 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.08 -39.49 97.18 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.911 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -71.51 -37.86 71.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.659 0.266 . . . . 0.0 110.792 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 70' ' ' LEU . 77.5 mt -63.16 -38.52 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.376 175.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.11 -48.1 71.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.624 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.2 m -62.4 -45.05 94.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.278 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.24 -49.36 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.287 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.491 HD13 ' HD2' ' A' ' 92' ' ' PRO . 81.7 mt -66.83 -36.87 83.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.369 -176.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.04 -42.41 63.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.66 -46.06 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.078 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . . . -60.27 -35.59 75.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.081 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.491 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 49.0 m -65.8 -46.17 79.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.279 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.03 -39.58 84.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.985 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -73.18 -25.83 60.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.508 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.07 32.72 8.19 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.376 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -93.82 2.35 56.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.209 0.528 . . . . 0.0 110.156 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -167.46 -174.55 2.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.135 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -95.26 173.19 7.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.542 0.21 . . . . 0.0 110.622 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.491 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -83.29 110.76 3.31 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.942 -0.646 . . . . 0.0 113.859 -171.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -177.17 149.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.872 0.469 . . . . 0.0 110.012 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -121.7 88.09 46.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.491 ' HD2' HD13 ' A' ' 78' ' ' LEU . 16.2 Cg_exo -69.05 6.93 0.9 Allowed 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 123.544 2.83 . . . . 0.0 113.106 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.734 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -92.27 0.56 57.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -81.82 160.66 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.389 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.57 ' HZ2' ' HG2' ' A' ' 53' ' ' MET . 0.0 OUTLIER -159.71 118.77 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.723 0.297 . . . . 0.0 111.153 177.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -111.68 -15.76 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.048 175.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.79 98.4 0.18 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.789 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -146.94 -42.84 0.18 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.117 0.484 . . . . 0.0 110.116 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.4 mt -94.64 -51.71 4.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.691 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.831 ' HG2' ' H ' ' A' ' 101' ' ' HIS . 27.5 tt0 58.8 -163.86 0.21 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.831 ' H ' ' HG2' ' A' ' 100' ' ' GLU . 59.1 m-70 65.25 176.02 0.21 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.849 0.46 . . . . 0.0 110.284 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.33 -161.51 0.26 Allowed 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.325 0.39 . . . . 0.0 110.248 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.3 t60 59.75 82.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.111 0.564 . . . . 0.0 112.019 171.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -152.89 153.1 32.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.788 0.327 . . . . 0.0 110.245 172.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -132.4 -32.82 1.31 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 C--O 1.246 0.921 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 173.159 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 tpp . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.3 p -89.34 167.92 12.66 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.468 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -64.94 -42.7 94.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.197 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.1 m -62.52 -46.19 89.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.3 mt-10 -62.59 -48.05 81.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.07 -43.89 97.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.611 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.97 88.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.717 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.84 86.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.032 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 91.1 mt -62.34 -43.27 99.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.468 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.3 -44.19 92.53 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.03 0.443 . . . . 0.0 110.472 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.454 HD12 ' OG1' ' A' ' 28' ' ' THR . 92.5 mt -63.93 -46.18 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.3 mttt -70.91 -33.87 70.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.25 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.16 73.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.896 0.379 . . . . 0.0 110.469 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -105.73 14.75 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.856 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 19.7 ptt180 -64.95 -33.05 75.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 110.142 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -67.94 -34.32 76.37 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.174 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 m -73.27 -35.2 66.14 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.25 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -98.27 32.53 2.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.95 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -114.34 114.53 26.02 Favored 'General case' 0 CA--C 1.498 -1.038 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -123.32 103.88 8.78 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.726 7.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.3 p -122.21 153.54 38.69 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.951 175.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -83.69 2.27 38.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.972 0.891 . . . . 0.0 109.121 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -54.83 -34.01 62.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 113.888 -1.506 . . . . 0.0 110.826 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.14 -47.0 66.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.118 0.485 . . . . 0.0 111.126 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.59 -46.2 80.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.752 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.85 -39.53 81.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.361 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.584 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 2.0 m95 -60.6 -49.21 78.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.614 175.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.454 ' OG1' HD12 ' A' ' 11' ' ' ILE . 12.9 m -60.31 -49.39 77.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.595 -178.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.57 -48.91 79.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.483 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -63.09 -44.21 96.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.78 0.324 . . . . 0.0 111.305 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.47 -43.7 94.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.771 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -64.13 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -80.29 -53.73 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.903 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -80.55 -50.15 10.38 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.7 m -82.79 -25.35 32.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.498 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -47.76 -65.82 2.25 Favored Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.73 0.644 . . . . 0.0 114.292 -175.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.91 -25.01 74.18 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.731 2.288 . . . . 0.0 114.211 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 t -95.36 -51.22 11.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -172.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.439 ' HA ' HD13 ' A' ' 42' ' ' LEU . 28.1 pt -129.31 5.48 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.79 -64.84 3.84 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 116.388 -0.369 . . . . 0.0 113.752 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 3.4 Cg_exo -76.68 5.34 4.88 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.747 2.298 . . . . 0.0 112.585 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 39' ' ' ILE . 69.1 mt -86.47 159.63 19.25 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.574 ' OG ' ' HG2' ' A' ' 45' ' ' GLN . 15.2 t -64.87 142.06 58.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.533 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 ' HD2' ' A' ' 87' ' ' ARG . 14.5 p -64.53 -23.22 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.181 0.515 . . . . 0.0 110.585 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.574 ' HG2' ' OG ' ' A' ' 43' ' ' SER . 3.7 pt20 -87.96 -17.68 30.74 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -89.75 -17.11 28.86 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.873 0.368 . . . . 0.0 111.503 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.531 ' HA ' HD11 ' A' ' 51' ' ' LEU . 97.4 t -69.67 115.23 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.637 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -113.67 173.32 6.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.881 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -60.38 -37.42 80.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 33.0 ttmt -54.5 -45.34 73.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.746 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 47' ' ' VAL . 87.4 mt -67.67 -40.86 84.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.751 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.532 HG21 HH22 ' A' ' 71' ' ' ARG . 79.1 mt -64.19 -41.61 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.592 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.24 -34.6 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.654 0.264 . . . . 0.0 110.935 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 55.9 mtpt -65.42 -38.0 88.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.682 177.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 51' ' ' LEU . 44.6 t -70.07 -46.01 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.232 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.87 -31.91 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.583 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 15.1 t70 -49.93 -57.23 13.12 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -174.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 46.7 Cg_endo -70.0 -14.28 35.12 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.177 1.918 . . . . 0.0 113.116 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mt -77.11 -34.96 22.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.213 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -61.25 -28.52 69.23 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.122 0.487 . . . . 0.0 110.668 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.45 -39.11 91.64 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.018 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -101.7 -54.48 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.157 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -139.51 84.99 15.46 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.008 -171.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.37 -39.46 66.64 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.892 2.395 . . . . 0.0 113.225 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.65 -38.68 84.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.187 0.518 . . . . 0.0 110.057 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -67.76 -35.82 79.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.336 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.98 99.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.577 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 m -65.22 -42.4 93.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.617 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 95.9 mtt180 -65.39 -45.46 83.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.118 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.32 -34.85 78.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.365 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.676 ' NH2' ' HA ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -56.45 -49.31 74.97 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.523 -179.238 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.09 91.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.517 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.584 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 98.1 mtt180 -61.56 -46.54 89.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.2 mt -59.41 -40.85 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.612 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.67 -47.44 86.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.396 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.3 m -62.08 -41.87 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.198 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.31 -47.75 71.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.328 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.479 HD12 ' HG2' ' A' ' 92' ' ' PRO . 70.1 mt -64.24 -39.74 94.57 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.4 -46.29 90.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.243 0.544 . . . . 0.0 109.616 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -58.87 -51.12 71.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.749 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.27 73.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.769 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 26.9 m -67.59 -38.74 84.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.899 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.8 t -77.96 -33.62 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -71.46 -25.21 62.2 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.593 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.14 24.01 8.75 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.957 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -94.11 -12.06 29.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.134 0.492 . . . . 0.0 110.181 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' HD2' HG22 ' A' ' 44' ' ' VAL . 8.5 ptm180 -164.18 152.77 13.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.691 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -121.28 171.8 8.47 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.75 -146.88 16.5 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.614 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -105.03 -172.16 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.43 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 56.7 t-20 -103.16 94.7 5.84 Favored Pre-proline 0 C--N 1.322 -0.608 0 C-N-CA 123.067 0.547 . . . . 0.0 109.989 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.479 ' HG2' HD12 ' A' ' 78' ' ' LEU . 13.9 Cg_endo -54.08 -11.51 2.75 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.043 2.495 . . . . 0.0 113.543 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.676 ' HA ' ' NH2' ' A' ' 71' ' ' ARG . . . -86.83 -10.98 52.2 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.222 0.534 . . . . 0.0 110.909 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -81.16 133.51 35.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.52 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.558 ' C ' ' H ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -129.46 -41.39 1.37 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.864 -175.146 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 58.54 -29.95 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.215 1.006 . . . . 0.0 113.608 -170.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.558 ' H ' ' C ' ' A' ' 95' ' ' TRP . . . -142.09 87.76 0.18 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.464 ' HD1' ' H ' ' A' ' 98' ' ' TYR . 3.1 p90 -78.16 -173.38 3.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.318 0.118 . . . . 0.0 111.318 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -42.77 -66.6 0.35 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.605 0.762 . . . . 0.0 112.803 -172.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -147.06 129.15 15.54 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -71.49 113.14 8.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.927 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -121.77 143.24 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.825 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -169.1 117.13 0.64 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.711 0.291 . . . . 0.0 110.438 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -119.78 151.57 38.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -163.67 124.75 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.7 t60 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.189 -178.271 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttm . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.823 0.344 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.8 p -89.19 169.59 11.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.061 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.404 ' HA ' HG22 ' A' ' 44' ' ' VAL . 81.8 t80 -62.77 -40.24 96.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.789 0.328 . . . . 0.0 110.684 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m -61.92 -45.18 94.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 54.0 mt-10 -62.94 -47.25 84.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.871 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 44.4 t -61.93 -49.02 77.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.968 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.89 -45.97 74.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.864 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.3 85.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.059 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 83.0 mt -64.54 -45.47 87.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.732 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -58.83 -45.02 90.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.176 0.512 . . . . 0.0 110.091 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.466 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 94.8 mt -59.86 -49.26 84.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.963 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.485 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 58.3 mtpt -64.2 -34.93 79.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.791 0.329 . . . . 0.0 111.359 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -18.06 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.798 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -127.19 16.53 7.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.586 0.231 . . . . 0.0 111.201 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 17.3 mmt180 -56.16 -45.9 79.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.389 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 m -76.03 -20.05 58.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.141 0.496 . . . . 0.0 111.51 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.1 m -76.89 -40.71 46.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.057 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.6 m0 -89.74 -0.14 57.36 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.529 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.773 ' HA ' ' HB2' ' A' ' 20' ' ' ASN . 62.2 mttp 77.56 148.78 0.1 Allowed 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 -165.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.773 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 20.7 m120 71.25 11.68 6.78 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.899 2.08 . . . . 0.0 107.958 31.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.553 ' HG1' ' HB2' ' A' ' 19' ' ' LYS . 18.5 p -153.0 -172.14 4.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 113.293 -1.776 . . . . 0.0 107.949 176.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -79.48 9.45 4.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -62.4 -43.4 98.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.732 0.301 . . . . 0.0 110.464 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.79 88.7 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.278 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.63 -47.4 81.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.5 -36.63 78.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.048 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -64.4 -48.59 74.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.032 0.444 . . . . 0.0 110.78 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 m -69.24 -48.49 61.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.403 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -55.85 -49.29 73.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.714 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -60.98 -48.29 82.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.785 0.326 . . . . 0.0 111.274 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.15 -42.67 85.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.667 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -58.63 -39.34 80.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.205 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.5 m -82.28 -53.67 5.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.413 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -80.31 -49.58 11.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -173.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.9 m -79.66 -20.42 46.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.082 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.84 -65.22 3.34 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.74 -0.664 . . . . 0.0 114.044 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.85 -15.43 50.29 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.562 2.175 . . . . 0.0 113.325 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.505 HG11 HG21 ' A' ' 39' ' ' ILE . 22.9 t -95.2 -65.79 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.717 0.294 . . . . 0.0 111.379 -176.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.517 ' HA ' HD13 ' A' ' 42' ' ' LEU . 28.8 pt -123.77 5.13 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.691 -174.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.09 -63.84 4.8 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 116.187 -0.461 . . . . 0.0 114.01 -176.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.78 5.45 6.16 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.618 2.212 . . . . 0.0 113.214 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 39' ' ' ILE . 82.6 mt -84.59 158.47 20.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.452 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 44.1 t -55.82 135.3 51.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.065 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.847 HG23 HH21 ' A' ' 87' ' ' ARG . 3.2 p -73.5 -6.66 8.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.319 0.581 . . . . 0.0 109.913 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.66 ' HG3' ' HB2' ' A' ' 87' ' ' ARG . 9.9 tt0 -93.39 -26.17 17.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.149 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 22.9 m-20 -95.44 23.68 5.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.796 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.98 106.37 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 52' ' ' ILE . 46.8 m-20 -93.76 168.82 10.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.385 -177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 53' ' ' MET . 3.7 p -60.37 -45.19 94.42 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.025 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -55.94 -43.55 77.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.81 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.53 -42.47 95.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.187 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.523 ' HB ' ' HH2' ' A' ' 95' ' ' TRP . 62.2 mt -65.3 -37.35 79.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.494 ' HG2' ' HE1' ' A' ' 98' ' ' TYR . 67.7 mtt -59.72 -35.89 75.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.747 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.05 -37.46 78.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.174 177.685 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.81 -44.13 99.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.003 0.43 . . . . 0.0 110.458 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 59' ' ' ILE . 93.5 mt -76.33 -24.18 54.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.69 -177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.578 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.8 t70 -46.58 -59.73 4.69 Favored Pre-proline 0 N--CA 1.471 0.588 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.537 -174.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 80.5 Cg_endo -74.57 -11.11 22.29 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.086 1.858 . . . . 0.0 112.933 -175.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 56' ' ' LEU . 32.3 mt -76.75 -29.74 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.765 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -68.2 -14.97 63.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.065 0.46 . . . . 0.0 110.746 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -81.1 -27.44 35.59 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.66 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -104.35 -62.67 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.695 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -139.98 87.37 12.6 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 -173.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -50.86 -46.0 32.86 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.48 2.786 . . . . 0.0 113.779 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 48.2 mt-10 -65.45 -39.41 92.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.968 0.413 . . . . 0.0 110.865 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.2 m -67.93 -32.69 73.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.569 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.59 68.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.934 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.9 p -66.04 -34.87 79.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.444 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 68.7 mtp180 -73.59 -34.45 65.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.338 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.04 -38.72 89.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -60.02 -35.97 76.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.794 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.71 -37.16 93.09 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.977 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 77' ' ' VAL . 99.4 mtt180 -64.09 -49.07 73.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.0 mt -59.93 -44.85 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.112 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.9 -48.0 79.23 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.712 0.292 . . . . 0.0 110.432 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -63.93 -42.55 97.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.233 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 73' ' ' ARG . 95.6 t -66.27 -49.11 78.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 93' ' ' ALA . 21.5 mt -67.94 -40.14 83.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.228 -177.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.46 -38.41 80.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.259 0.552 . . . . 0.0 110.151 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.477 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 76.5 t90 -58.44 -51.24 70.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.435 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -67.46 -33.12 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -65.76 -42.69 90.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.3 t -70.16 -36.02 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.609 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 22.9 mmm-85 -67.17 -24.95 65.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.811 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.28 39.76 7.2 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.209 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -95.2 3.33 54.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.0 110.619 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.847 HH21 HG23 ' A' ' 44' ' ' VAL . 11.8 ptp85 -162.72 -174.69 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 9.5 tp10 -69.68 164.86 22.51 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.385 0.428 . . . . 0.0 109.944 172.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.83 -178.65 6.59 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 114.112 0.405 . . . . 0.0 114.112 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.2 t0 66.78 164.53 0.2 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.16 0.984 . . . . 0.0 112.005 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.466 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 44.3 t30 -134.91 90.91 20.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.655 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 11.6 Cg_endo -54.74 -18.22 15.39 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.361 2.707 . . . . 0.0 113.625 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.554 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -71.41 -18.8 62.32 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.041 0.448 . . . . 0.0 110.842 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -91.53 130.77 37.3 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.428 0.632 . . . . 0.0 109.824 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.523 ' HH2' ' HB ' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -125.27 -42.1 2.01 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.807 -175.411 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 58.63 -60.61 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.979 0.8 . . . . 0.0 111.239 -165.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.77 51.98 1.05 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.494 -0.384 . . . . 0.0 112.305 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.494 ' HE1' ' HG2' ' A' ' 53' ' ' MET . 59.8 t80 -72.03 -54.8 8.78 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.8 mt -87.14 -76.89 0.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.16 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.48 -58.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.782 174.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -119.67 -179.4 3.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.306 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -129.3 -55.64 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.4 m170 65.04 36.23 7.54 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.463 0.477 . . . . 0.0 110.497 -172.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.07 116.47 13.64 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.842 0.353 . . . . 0.0 110.333 -178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.18 98.14 0.06 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.301 -177.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 . . . . . 0 C--O 1.244 0.802 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.407 178.264 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 tpp . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.748 0.308 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.4 p -93.66 169.24 10.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -67.14 -40.24 86.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -58.34 -47.54 83.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.393 . . . . 0.0 110.996 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.522 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.1 mt-10 -63.4 -49.25 74.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.961 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 81' ' ' ALA . 9.7 t -64.09 -45.15 89.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.887 -175.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.02 92.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.538 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.21 95.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.763 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 95.1 mt -60.82 -43.46 98.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.82 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -59.5 -49.46 77.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.995 0.426 . . . . 0.0 110.761 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.7 mt -66.36 -48.4 81.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.436 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.0 mtpt -66.87 -33.84 76.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.548 -176.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.26 4.18 15.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 0.0 111.26 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -132.09 4.02 4.07 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.405 -0.185 . . . . 0.0 111.182 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 23.1 ptt180 -67.76 -27.57 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.474 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -70.98 -25.9 62.91 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.27 0.557 . . . . 0.0 110.387 176.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 m -84.27 -16.19 44.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -104.81 44.06 1.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.745 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HD3' HG22 ' A' ' 21' ' ' THR 0.324 44.9 mtpt 75.1 -154.93 0.04 OUTLIER 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 117.453 -1.261 . . . . 0.0 110.779 174.086 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.466 ' C ' ' CB ' ' A' ' 19' ' ' LYS . 94.9 m-20 -49.2 92.6 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 121.117 3.747 . . . . 0.0 121.117 70.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.572 HG22 ' HD3' ' A' ' 19' ' ' LYS . 1.1 p -142.16 161.2 38.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 112.855 -1.975 . . . . 0.0 108.982 155.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -73.51 0.5 12.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -174.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -54.31 -46.99 72.93 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.41 91.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.346 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.52 -44.11 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.54 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.86 -41.12 90.79 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.446 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -55.36 -48.72 73.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.006 0.432 . . . . 0.0 110.139 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -62.3 -50.83 70.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.113 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.44 -47.92 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.38 -173.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m -65.62 -50.22 65.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.787 0.327 . . . . 0.0 111.338 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.24 -42.86 88.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.116 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -58.96 -34.05 71.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.242 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.6 m -81.05 -52.39 7.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.879 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -78.8 -49.23 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -173.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.4 m -104.45 -10.33 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.703 -172.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.36 -65.53 3.34 Favored Glycine 0 CA--C 1.521 0.422 0 O-C-N 123.513 0.508 . . . . 0.0 113.597 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.31 -14.27 43.01 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.64 2.227 . . . . 0.0 113.001 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.592 HG11 HG23 ' A' ' 55' ' ' VAL . 33.0 t -91.8 -67.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.653 0.263 . . . . 0.0 111.268 -175.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.445 ' HA ' HD13 ' A' ' 42' ' ' LEU . 31.6 pt -114.45 3.12 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -173.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.55 -64.2 4.53 Favored Glycine 0 CA--C 1.524 0.602 0 CA-C-N 116.272 -0.422 . . . . 0.0 113.532 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.29 2.14 4.11 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.073 2.515 . . . . 0.0 113.243 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 39' ' ' ILE . 87.7 mt -86.17 161.16 18.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.8 m -66.94 131.99 47.02 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.516 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.643 HG23 ' HD2' ' A' ' 87' ' ' ARG . 14.4 p -64.73 -24.68 36.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.33 0.585 . . . . 0.0 111.092 -176.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.473 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 4.5 pt20 -78.19 -19.47 53.84 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.82 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.86 -5.71 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.157 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.32 111.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.056 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -126.79 168.66 14.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.174 -176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -34.17 64.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.868 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -58.37 -45.88 87.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.248 0.547 . . . . 0.0 110.927 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 55' ' ' VAL . 91.8 mt -71.46 -38.93 71.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.223 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.561 HG23 HH11 ' A' ' 71' ' ' ARG . 83.9 mt -63.75 -41.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.631 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.9 mtt -63.61 -43.94 95.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.804 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -38.3 83.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.813 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.592 HG23 HG11 ' A' ' 38' ' ' VAL . 57.8 t -67.44 -44.58 86.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.919 0.39 . . . . 0.0 110.881 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.839 HD11 ' HD2' ' A' ' 71' ' ' ARG . 72.2 mt -79.32 -23.84 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.489 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.587 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.8 t70 -42.09 -57.61 4.13 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -173.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 89.3 Cg_endo -76.18 -13.27 19.08 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.937 1.758 . . . . 0.0 113.074 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.9 mt -84.75 -36.01 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.856 -0.156 . . . . 0.0 111.226 -173.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.405 ' CZ2' HD12 ' A' ' 56' ' ' LEU . 78.1 m95 -57.54 -29.65 64.55 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.816 0.341 . . . . 0.0 111.068 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.55 -59.69 4.31 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.403 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -80.64 -55.49 4.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.607 -173.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HE2' ' OG1' ' A' ' 66' ' ' THR . 50.7 mtpt -135.02 79.73 50.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.909 0.385 . . . . 0.0 110.76 -174.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.6 -47.15 7.79 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.82 2.347 . . . . 0.0 112.906 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -64.88 -32.05 73.57 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 120.809 0.338 . . . . 0.0 111.366 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.477 ' OG1' ' HE2' ' A' ' 63' ' ' LYS . 7.9 m -70.32 -32.74 70.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.928 0.394 . . . . 0.0 110.404 177.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.715 ' HB2' HD22 ' A' ' 56' ' ' LEU . . . -62.64 -39.79 94.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.181 175.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.0 m -63.53 -39.44 94.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.459 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.61 -40.02 90.33 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.822 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.7 tp -72.71 -37.09 67.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.86 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.839 ' HD2' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -67.48 -38.99 85.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.201 -175.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.65 -34.03 84.69 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.59 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 77' ' ' VAL . 98.6 mtt180 -66.19 -49.53 66.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.401 . . . . 0.0 110.222 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.825 HD12 HH21 ' A' ' 71' ' ' ARG . 28.8 mt -65.19 -36.64 78.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.124 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -52.45 -47.48 66.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.06 0.457 . . . . 0.0 110.419 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -64.27 -37.54 87.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.074 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 73' ' ' ARG . 58.6 t -65.84 -48.8 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.708 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.72 -36.87 84.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.093 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.36 -47.43 70.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.569 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -58.88 -45.19 90.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.774 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . . . -61.14 -34.43 74.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.405 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 27.3 m -64.98 -42.85 94.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.512 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.02 -40.44 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.487 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -71.92 -25.7 62.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.923 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.89 4.46 54.38 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.845 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -71.66 -26.05 62.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.108 0.48 . . . . 0.0 110.383 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.643 ' HD2' HG23 ' A' ' 44' ' ' VAL . 7.2 ptm180 -147.82 150.78 34.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.01 160.71 33.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.975 0.417 . . . . 0.0 110.698 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.11 -120.78 3.0 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -175.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -138.68 -165.21 1.78 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.39 87.64 17.16 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-O 120.632 0.253 . . . . 0.0 110.402 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.34 -6.39 16.24 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.991 2.46 . . . . 0.0 113.088 -176.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.52 2.32 55.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.453 . . . . 0.0 110.592 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -87.93 -46.57 9.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.273 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 63.75 179.93 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.765 0.793 . . . . 0.0 112.608 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -125.57 27.51 6.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.017 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.07 -53.96 0.8 Allowed Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.652 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.535 ' CD2' ' HG ' ' A' ' 99' ' ' LEU . 60.5 t80 65.02 -79.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.562 0.745 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 98' ' ' TYR . 85.6 mt -84.2 -56.88 3.42 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 55.36 38.36 30.21 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.768 0.794 . . . . 0.0 110.099 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -74.41 97.35 3.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.399 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -104.78 108.09 19.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.445 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -139.8 129.86 24.99 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.947 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -109.63 124.31 50.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.103 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -67.29 153.31 43.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.443 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.081 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.523 ' O ' ' HA ' ' A' ' 43' ' ' SER . 47.7 tpp . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 68.6 p -87.54 162.17 17.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.54 -37.9 88.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 m -60.83 -46.06 92.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.582 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 29.1 mt-10 -62.44 -49.07 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.163 0.506 . . . . 0.0 111.243 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.403 ' HA ' HD12 ' A' ' 9' ' ' LEU . 7.2 t -64.56 -42.24 95.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.992 -176.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.77 99.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.668 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.41 81.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 95.3 mt -60.54 -49.39 77.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.654 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -57.67 -49.89 74.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.747 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.57 -49.32 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.458 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 37.2 ttpt -63.45 -34.7 78.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.707 0.289 . . . . 0.0 111.165 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.61 -14.87 62.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.444 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -116.57 -2.01 12.06 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 32.6 ptt180 -69.98 -27.84 65.04 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.155 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -67.81 -23.52 65.19 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.874 0.368 . . . . 0.0 111.219 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 t -81.6 -14.91 56.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.054 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -114.2 48.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.876 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.893 ' HB2' HG23 ' A' ' 21' ' ' THR 0.326 64.5 mttm 75.43 -152.03 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 116.858 -1.544 . . . . 0.0 110.03 -177.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.536 ' C ' ' HB3' ' A' ' 19' ' ' LYS . 17.3 t-20 -52.41 94.77 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 120.688 3.588 . . . . 0.0 120.688 67.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.893 HG23 ' HB2' ' A' ' 19' ' ' LYS . 31.5 p -108.91 -176.73 3.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 113.791 -1.549 . . . . 0.0 108.539 158.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.43 ' HE3' ' HB3' ' A' ' 22' ' ' LYS . 25.6 mtpp -92.62 6.11 48.52 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.713 170.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -66.6 -52.53 44.27 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.95 77.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.399 0.618 . . . . 0.0 110.072 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.32 -51.12 65.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.364 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.61 -38.46 90.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.775 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -55.04 -47.96 74.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.212 0.53 . . . . 0.0 110.1 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m -67.59 -50.49 58.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.955 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -55.26 -46.72 76.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.592 0.357 . . . . 0.0 111.503 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.1 m -63.55 -52.05 62.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.354 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.02 -41.83 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.092 0.472 . . . . 0.0 110.635 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.16 -36.11 74.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.719 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.5 m -79.84 -52.49 7.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.955 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -78.75 -45.63 20.68 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.5 m -95.41 -13.04 24.99 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.68 -172.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.41 -63.31 5.19 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-N 115.886 -0.597 . . . . 0.0 113.705 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -57.75 -26.22 72.26 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.981 2.454 . . . . 0.0 113.744 -176.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.0 t -95.41 -72.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 42' ' ' LEU . 25.4 pt -105.53 6.04 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 111.579 0.215 . . . . 0.0 111.579 -172.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -57.05 -64.91 3.97 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 116.091 -0.504 . . . . 0.0 113.596 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.05 0.28 10.01 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.489 2.126 . . . . 0.0 112.992 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 39' ' ' ILE . 79.3 mt -84.14 159.85 20.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 1' ' ' MET . 45.9 t -65.82 141.34 58.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.812 0.339 . . . . 0.0 110.416 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.599 HG22 ' HD2' ' A' ' 87' ' ' ARG . 10.3 p -65.18 -19.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.273 0.558 . . . . 0.0 110.118 176.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -84.48 -28.56 26.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.98 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 13.9 t70 -77.97 -22.54 49.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.037 -176.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 43' ' ' SER . 61.5 t -58.08 104.7 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 121.145 0.497 . . . . 0.0 110.748 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -106.95 166.59 10.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.699 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.408 HG22 ' HE3' ' A' ' 53' ' ' MET . 27.2 m -58.29 -36.9 74.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.227 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -62.06 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 0.0 110.099 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.508 ' O ' HG21 ' A' ' 55' ' ' VAL . 91.5 mt -67.87 -38.59 83.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.16 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.505 HG21 HH11 ' A' ' 71' ' ' ARG . 59.1 mt -57.86 -40.01 74.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.086 177.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.408 ' HE3' HG22 ' A' ' 49' ' ' THR . 67.5 mtt -63.28 -43.62 97.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -60.38 -38.15 83.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.112 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 51' ' ' LEU . 53.7 t -67.74 -41.05 84.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.362 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.804 HD12 ' HD2' ' A' ' 71' ' ' ARG . 35.6 mt -74.97 -24.38 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.552 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.0 t70 -48.94 -55.12 22.02 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -174.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 71.1 Cg_endo -75.48 -20.69 15.7 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.004 1.803 . . . . 0.0 112.836 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.498 HG22 ' HB2' ' A' ' 67' ' ' ALA . 48.1 mt -78.03 -39.5 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.286 -174.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.41 ' NE1' ' HB3' ' A' ' 56' ' ' LEU . 81.5 m95 -60.48 -28.47 68.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.042 0.448 . . . . 0.0 111.239 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.27 -26.94 47.33 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.16 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -95.03 -61.89 1.41 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.578 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -131.75 85.58 51.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.729 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.06 -49.59 12.3 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.714 2.276 . . . . 0.0 113.206 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -63.76 -39.21 93.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.242 0.544 . . . . 0.0 110.099 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.8 m -71.09 -32.91 69.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.724 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.498 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -60.15 -43.01 96.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.42 . . . . 0.0 110.348 175.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.9 t -63.99 -47.37 80.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.13 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 77.7 mtt-85 -64.15 -44.74 91.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.39 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.53 -41.88 91.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.804 ' HD2' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -67.73 -40.14 84.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.398 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.65 -39.47 97.58 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.294 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 98.0 mtt180 -64.23 -40.35 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.987 0.423 . . . . 0.0 110.186 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.738 HD11 HH21 ' A' ' 71' ' ' ARG . 36.4 mt -67.73 -37.72 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.092 177.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -54.01 -44.6 71.07 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.7 t -61.41 -44.44 97.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.2 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.4 t -61.62 -47.07 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.443 HD13 ' HD2' ' A' ' 92' ' ' PRO . 90.8 mt -62.98 -38.96 93.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.52 -48.56 79.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.192 0.52 . . . . 0.0 110.179 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -62.88 -44.9 94.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.605 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.14 88.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.668 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -69.02 -39.32 79.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.507 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.12 -42.19 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.49 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.549 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -67.79 -26.04 65.89 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 176.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.61 19.22 38.49 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.79 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -82.88 -17.05 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.513 0.673 . . . . 0.0 109.41 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.599 ' HD2' HG22 ' A' ' 44' ' ' VAL . 8.1 ptm180 -147.86 153.02 38.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.789 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -127.9 160.79 30.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.719 0.295 . . . . 0.0 110.642 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.36 -121.55 4.72 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.804 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.625 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 7.6 t70 -141.25 -164.08 1.69 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.427 ' H ' ' CG ' ' A' ' 90' ' ' ASP . 5.0 m120 -106.37 88.06 3.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 123.002 0.521 . . . . 0.0 110.798 -177.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.625 ' HD3' ' O ' ' A' ' 90' ' ' ASP . 19.2 Cg_exo -65.81 -13.17 38.55 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.089 2.526 . . . . 0.0 113.149 -174.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.44 7.04 44.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.381 . . . . 0.0 110.923 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -100.61 -51.39 3.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.394 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 3.3 m-90 69.17 154.63 0.12 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 122.0 0.905 . . . . 0.0 112.92 176.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -105.38 -23.51 12.83 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.865 170.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -173.24 91.59 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.609 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.413 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 17.2 t80 -96.04 -70.03 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.727 0.298 . . . . 0.0 110.667 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.7 mt -90.74 -48.78 6.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.951 0.405 . . . . 0.0 110.648 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -142.87 158.84 43.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.201 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -92.11 108.76 20.18 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -68.01 -44.3 76.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 68.16 131.17 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.878 0.736 . . . . 0.0 110.658 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -71.82 119.65 16.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.211 0.529 . . . . 0.0 110.716 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -164.16 -62.99 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.469 -0.787 . . . . 0.0 108.932 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.141 170.432 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 tpp . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.3 p -94.2 160.0 14.88 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.205 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -66.41 -41.04 89.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.686 0.279 . . . . 0.0 110.288 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -59.32 -41.77 89.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.673 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 33.8 mt-10 -69.35 -46.19 67.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.065 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 t -63.95 -47.64 79.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.97 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.2 85.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.469 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.84 97.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.667 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 94.9 mt -60.56 -42.34 96.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.764 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -59.99 -49.1 78.98 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.106 0.479 . . . . 0.0 110.537 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.417 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 89.9 mt -66.35 -48.2 81.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.335 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 62.0 mtpt -63.19 -34.6 77.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.475 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.41 -27.08 66.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.172 0.511 . . . . 0.0 110.837 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -100.02 2.21 43.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.486 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.492 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 10.0 mmm180 -61.34 -33.62 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.221 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 m -68.42 -32.58 72.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.826 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -80.56 -32.96 36.49 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.924 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m0 -95.24 46.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.079 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 87.3 tttt -117.59 120.14 37.14 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 25.8 p30 -115.31 24.7 11.42 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.621 6.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.6 p -62.18 126.5 27.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.946 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -89.61 20.03 4.25 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -170.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.42 -26.23 67.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 168.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -36.0 66.14 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.129 0.49 . . . . 0.0 110.888 172.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.04 -44.17 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.118 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -58.67 -42.49 88.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.675 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -54.67 -51.45 65.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 175.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -63.14 -48.77 77.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.043 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -63.61 -44.81 92.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -175.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -62.76 -48.63 78.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.657 0.265 . . . . 0.0 111.338 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.56 -41.21 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.727 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 2.5 tmtp? -62.56 -33.52 75.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.993 0.425 . . . . 0.0 110.195 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.7 m -78.66 -52.4 8.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.806 0.336 . . . . 0.0 111.235 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -79.28 -49.39 12.54 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.5 m -96.57 -9.87 28.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.471 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -55.04 -70.34 0.99 Allowed Glycine 0 CA--C 1.52 0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 113.951 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.86 -12.74 36.6 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.724 2.283 . . . . 0.0 112.883 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.526 HG12 HG21 ' A' ' 39' ' ' ILE . 38.5 t -89.55 -70.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.983 -176.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.526 HG21 HG12 ' A' ' 38' ' ' VAL . 29.4 pt -116.07 2.2 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.04 -64.25 4.53 Favored Glycine 0 CA--C 1.521 0.454 0 O-C-N 123.305 0.378 . . . . 0.0 113.459 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 5.9 Cg_exo -78.71 5.25 5.74 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.73 2.287 . . . . 0.0 112.931 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 39' ' ' ILE . 78.5 mt -87.64 154.59 20.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.13 143.54 52.03 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 177.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.8 p -66.14 -22.17 29.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.167 0.508 . . . . 0.0 110.105 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -84.0 -19.72 34.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.071 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.75 -26.02 37.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.992 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.86 110.57 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.232 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -122.04 -175.19 3.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.586 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.487 HG21 ' HE1' ' A' ' 53' ' ' MET . 4.8 m -62.26 -39.55 93.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.687 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -45.08 90.49 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.724 0.297 . . . . 0.0 110.37 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.444 ' O ' HG22 ' A' ' 55' ' ' VAL . 82.0 mt -63.36 -41.36 98.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.795 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.24 -40.94 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.555 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.487 ' HE1' HG21 ' A' ' 49' ' ' THR . 64.1 mtt -60.94 -39.36 89.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 178.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.997 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 7.8 mmpt? -68.97 -37.64 78.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.333 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 51' ' ' LEU . 84.8 t -58.1 -40.99 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.956 0.408 . . . . 0.0 110.63 176.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.532 HD11 HH11 ' A' ' 71' ' ' ARG . 35.0 mt -79.47 -24.42 42.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.084 -177.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.619 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 9.4 t70 -45.16 -59.19 4.58 Favored Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -172.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 90.1 Cg_endo -75.41 -21.88 14.67 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.043 1.829 . . . . 0.0 113.068 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.22 -29.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.54 -171.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -63.12 -29.08 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.638 0.256 . . . . 0.0 111.561 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -80.6 -22.78 40.33 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.976 0.417 . . . . 0.0 111.402 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -100.14 -59.99 1.61 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.867 -178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -143.13 85.47 9.71 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.805 -174.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -61.04 -36.77 80.62 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.549 2.166 . . . . 0.0 112.172 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -64.08 -44.56 92.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.703 179.391 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 m -71.19 -32.32 68.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.764 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.25 -39.43 82.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.097 0.475 . . . . 0.0 110.332 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 m -68.32 -36.66 79.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.63 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 64.3 mtp180 -68.93 -45.5 70.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.774 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.97 -34.32 75.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.25 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.532 HH11 HD11 ' A' ' 56' ' ' LEU . 2.4 tpm_? -55.64 -48.66 74.6 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.421 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.67 74.56 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.683 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -64.47 -45.27 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.611 0.243 . . . . 0.0 110.749 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.01 -38.85 82.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.66 0.267 . . . . 0.0 110.667 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -56.0 -45.54 79.0 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.9 m -60.55 -41.99 95.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.006 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.87 -47.25 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.799 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.42 -38.8 92.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.423 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.76 -40.89 92.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.0 0.428 . . . . 0.0 110.104 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -60.4 -44.77 95.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.889 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.75 71.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.938 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.664 HG23 ' HA2' ' A' ' 89' ' ' GLY . 57.9 m -69.27 -34.98 75.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.67 -41.87 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.132 0.491 . . . . 0.0 110.255 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -69.86 -23.48 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.369 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.61 31.43 13.17 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.831 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -88.58 -24.73 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.481 . . . . 0.0 110.216 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -140.96 174.22 10.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.309 172.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.43 ' C ' ' H ' ' A' ' 90' ' ' ASP . 43.6 mm-40 -72.42 172.78 9.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.741 0.305 . . . . 0.0 111.38 -175.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.664 ' HA2' HG23 ' A' ' 82' ' ' THR . . . -73.84 22.17 1.2 Allowed Glycine 0 C--N 1.332 0.353 0 CA-C-N 115.822 -0.626 . . . . 0.0 113.844 -175.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 88' ' ' GLU . 7.6 m-20 -111.14 124.47 52.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.803 0.335 . . . . 0.0 110.218 177.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -116.13 88.97 23.96 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.117 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.52 -8.75 15.83 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.049 2.499 . . . . 0.0 113.424 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.53 -10.23 56.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -82.5 -29.55 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.149 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.506 ' NE1' ' HB3' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 66.31 153.73 0.08 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.911 0.757 . . . . 0.0 113.0 173.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -85.27 -32.14 22.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.764 171.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 145.6 64.88 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.707 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.506 ' HB3' ' NE1' ' A' ' 95' ' ' TRP . 13.6 t80 -125.46 148.16 48.94 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.7 mt 69.64 -38.49 0.41 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.853 0.861 . . . . 0.0 112.016 -174.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 98' ' ' TYR . 5.8 tp10 -78.27 132.07 37.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -72.12 143.19 49.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -87.75 -43.19 12.07 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -137.64 -76.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.601 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -114.45 -88.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.146 -0.222 . . . . 0.0 110.466 -172.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -93.7 -19.31 21.21 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 C--O 1.244 0.793 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.591 173.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 tpp . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.5 p -96.48 163.34 13.08 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.056 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.59 -41.44 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.713 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.5 m -62.86 -43.42 98.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.032 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -64.66 -47.71 77.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.965 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.9 t -61.88 -46.16 90.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.537 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.83 84.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.881 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.95 93.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.82 -46.32 91.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.358 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -58.02 -48.43 80.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.0 -49.91 82.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.26 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -70.43 -34.07 72.05 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.39 0.9 27.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -135.59 10.4 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.2 -0.313 . . . . 0.0 110.948 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -69.85 -16.65 63.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.919 -176.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -34.78 72.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.662 176.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 t -76.58 -18.99 58.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.14 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -106.15 30.13 6.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.29 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 28.6 tptp -117.43 118.73 33.0 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 49.1 t30 -114.99 92.52 3.96 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 123.249 0.619 . . . . 0.0 110.82 9.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p -129.73 161.35 30.88 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.375 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 19.6 mmmt -77.42 1.78 18.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.453 177.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -59.41 -44.23 92.89 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.339 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.14 81.26 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.232 0.539 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.5 -45.49 62.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.148 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 13.3 mm-40 -62.97 -37.48 87.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.616 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -54.6 -51.37 65.53 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.2 m -60.84 -51.22 70.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.958 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -55.95 -46.02 78.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.814 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -64.17 -54.36 34.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.47 -40.23 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.706 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.53 -35.63 74.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.697 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -81.68 -53.07 6.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.162 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -80.29 -49.54 11.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -174.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -90.43 -19.12 24.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.568 0.223 . . . . 0.0 111.462 -173.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.91 -64.69 4.02 Favored Glycine 0 CA--C 1.523 0.58 0 CA-C-N 115.821 -0.627 . . . . 0.0 114.366 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -63.98 -19.86 67.1 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.538 2.159 . . . . 0.0 113.564 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.9 t -95.33 -72.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.498 ' HA ' HD13 ' A' ' 42' ' ' LEU . 34.7 pt -105.76 1.16 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.273 -173.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.86 -63.17 5.49 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.52 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -76.03 5.35 4.55 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.792 2.328 . . . . 0.0 113.254 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 39' ' ' ILE . 86.6 mt -89.05 153.58 20.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.549 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 15.7 m -62.3 141.75 58.11 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.128 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.82 -26.29 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 111.291 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -80.78 -21.45 40.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.009 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.549 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 0.7 OUTLIER -86.91 4.3 42.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.626 -177.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.5 105.01 4.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -101.05 170.23 8.41 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.543 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 53' ' ' MET . 0.0 OUTLIER -65.94 -35.5 80.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.8 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -61.24 -42.09 98.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.927 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.27 -38.44 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.81 HD11 HH12 ' A' ' 71' ' ' ARG . 91.5 mt -62.05 -38.66 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.784 177.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.7 mtt -60.42 -39.07 86.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.595 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -60.54 -37.73 82.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.5 t -72.9 -45.44 55.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.254 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.28 -35.59 63.76 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -172.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.559 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 18.8 t70 -48.4 -56.62 13.59 Favored Pre-proline 0 N--CA 1.473 0.723 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -173.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 28.3 Cg_endo -65.79 -21.2 58.4 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.238 1.959 . . . . 0.0 113.007 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.0 mt -79.24 -28.11 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.312 . . . . 0.0 110.696 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.547 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 87.4 m95 -59.74 -30.39 68.8 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.147 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.27 -20.11 60.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.961 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -110.29 -56.26 2.36 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.498 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -138.72 85.49 16.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.863 -174.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.69 -46.05 22.27 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.759 2.306 . . . . 0.0 112.546 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 57.4 mm-40 -61.91 -42.85 99.57 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 121.128 0.49 . . . . 0.0 110.703 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -71.15 -33.66 70.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.839 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.37 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 0.0 110.249 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -68.24 -37.75 81.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.798 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 70.1 mtp180 -74.24 -39.77 62.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.569 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 HD12 ' HD2' ' A' ' 73' ' ' ARG . 67.0 tp -64.16 -34.23 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.396 0.617 . . . . 0.0 109.841 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.81 HH12 HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -54.84 -38.92 68.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.976 175.291 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.69 -30.42 77.89 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.598 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' HD2' HD12 ' A' ' 70' ' ' LEU . 91.1 mtt180 -67.76 -34.51 76.96 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.65 -42.95 96.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.852 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -56.68 -44.65 81.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.414 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.1 m -58.95 -42.19 89.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.881 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.9 t -72.22 -48.67 47.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.452 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.422 ' HB2' HD22 ' A' ' 91' ' ' ASN . 60.8 mt -63.78 -44.65 92.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.01 -37.72 83.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.233 0.539 . . . . 0.0 110.206 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -65.43 -39.53 92.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.852 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.05 77.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.096 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.755 HG21 ' HA ' ' A' ' 88' ' ' GLU . 81.8 m -60.24 -44.83 94.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.401 175.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.25 -38.42 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -66.68 -23.27 66.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.369 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.66 22.82 17.44 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.458 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -87.73 -21.8 24.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.353 0.597 . . . . 0.0 109.765 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.491 ' O ' ' HA ' ' A' ' 82' ' ' THR . 7.3 ptp180 -161.92 175.19 12.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.247 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.755 ' HA ' HG21 ' A' ' 82' ' ' THR . 12.1 pt-20 -164.81 -178.21 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.82 94.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 O-C-N 123.505 0.503 . . . . 0.0 112.951 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 91' ' ' ASN . 30.4 t70 56.52 -164.6 0.15 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 122.916 0.486 . . . . 0.0 110.104 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.698 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 56.3 t30 -158.61 140.48 9.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 121.804 -0.56 . . . . 0.0 109.567 177.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.698 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 39.7 Cg_endo -69.23 5.68 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.806 2.337 . . . . 0.0 112.944 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.679 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -89.89 -0.36 57.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.975 0.417 . . . . 0.0 110.567 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -83.53 149.16 26.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.179 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.44 106.12 5.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.876 175.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 96' ' ' ARG . 10.3 mtt180 -76.91 -21.51 54.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.064 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.5 -113.96 2.29 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -141.4 -48.07 0.39 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.699 0.285 . . . . 0.0 110.325 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.5 mt -139.97 -74.26 0.36 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.18 159.95 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.801 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -87.31 70.08 10.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.138 0.494 . . . . 0.0 109.891 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -75.98 121.8 23.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.513 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -123.68 146.47 48.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.901 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -171.62 131.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.718 0.294 . . . . 0.0 110.602 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -127.01 179.55 5.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.281 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.619 179.619 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.4 ttm . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.117 0.484 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 40.9 p -82.94 176.29 9.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.606 172.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -63.75 -38.76 92.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -59.27 -45.95 89.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.763 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.5 mt-10 -62.56 -45.61 92.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.7 t -65.34 -47.73 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.672 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.3 83.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.034 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.84 99.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 88.5 mt -61.42 -42.15 98.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -56.9 -47.57 80.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.657 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.5 mt -71.68 -50.68 37.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.523 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.6 mttt -71.86 -35.57 69.87 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -173.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.11 -10.24 59.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.883 0.373 . . . . 0.0 111.236 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.572 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 48.4 m80 -115.13 -3.19 12.59 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.463 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 11.3 ptm180 -58.74 -18.33 30.68 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -171.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.45 ' O ' ' HE3' ' A' ' 19' ' ' LYS . 3.1 m -64.42 -53.8 42.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.007 0.432 . . . . 0.0 110.753 176.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -75.08 -23.09 57.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.222 1.01 . . . . 0.0 108.579 174.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.572 ' HB2' ' O ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -93.76 49.09 1.32 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.218 -176.206 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.868 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 31.4 mmtp -47.78 101.47 0.03 OUTLIER 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 165.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.868 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 63.4 t30 87.57 17.34 0.08 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 127.199 2.2 . . . . 0.0 106.662 51.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 p -87.32 -164.29 1.06 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 112.892 -1.958 . . . . 0.0 107.505 157.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.458 ' HE2' ' HB3' ' A' ' 22' ' ' LYS . 34.5 mtpt -73.54 -4.68 35.4 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.084 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.437 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 1.3 p80 -67.54 -29.93 69.45 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.948 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.29 -38.11 78.17 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.216 0.532 . . . . 0.0 109.969 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.69 -46.23 90.59 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.133 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 16.3 mm-40 -58.43 -30.16 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.818 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.437 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 17.9 m95 -74.51 -51.15 15.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 m -66.33 -46.94 75.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.26 -176.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -66.52 -47.93 71.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.124 -171.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 p -62.34 -53.0 61.36 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.645 0.26 . . . . 0.0 111.474 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.71 -44.97 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -59.43 -34.81 72.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.017 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.8 m -81.69 -51.39 8.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.737 -175.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -77.85 -49.3 14.54 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.4 m -103.51 -19.26 14.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.54 -64.19 3.31 Favored Glycine 0 CA--C 1.519 0.326 0 O-C-N 123.81 0.694 . . . . 0.0 113.983 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.5 -24.07 51.15 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.718 2.278 . . . . 0.0 113.549 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.535 HG12 HG23 ' A' ' 55' ' ' VAL . 19.1 t -95.28 -73.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.1 pt -95.06 -3.03 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -173.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -55.5 -63.09 5.6 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.159 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.39 2.72 4.17 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.55 2.167 . . . . 0.0 113.169 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.596 HD11 HD11 ' A' ' 51' ' ' LEU . 78.6 mt -84.55 152.28 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.547 ' O ' HG22 ' A' ' 47' ' ' VAL . 39.2 t -68.69 147.5 51.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.54 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.51 -22.93 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 109.977 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -82.11 -24.68 35.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.436 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -86.76 -27.19 23.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.561 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 43' ' ' SER . 87.5 t -55.22 115.41 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.298 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -127.14 167.71 15.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.89 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.506 HG21 ' HE3' ' A' ' 53' ' ' MET . 24.0 m -59.42 -36.43 75.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.515 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -61.83 -42.54 99.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 111.142 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.596 HD11 HD11 ' A' ' 42' ' ' LEU . 61.0 mt -66.9 -38.18 85.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.657 0.741 . . . . 0.0 109.732 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.596 HG21 ' NE ' ' A' ' 71' ' ' ARG . 18.9 mt -62.26 -35.32 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.54 178.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.506 ' HE3' HG21 ' A' ' 49' ' ' THR . 66.8 mtt -66.65 -41.54 88.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.879 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -56.59 -38.88 72.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.424 -178.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.536 ' HB ' HH22 ' A' ' 71' ' ' ARG . 21.4 t -70.38 -38.93 75.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD21 ' HB2' ' A' ' 67' ' ' ALA . 51.1 mt -78.89 -23.11 45.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.946 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.569 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 9.0 t70 -45.54 -55.65 11.66 Favored Pre-proline 0 N--CA 1.47 0.562 0 O-C-N 123.55 0.531 . . . . 0.0 112.337 -176.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 72.8 Cg_endo -76.76 -13.51 17.83 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 121.946 1.764 . . . . 0.0 112.876 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.496 HD13 HD23 ' A' ' 56' ' ' LEU . 51.7 mt -82.78 -39.8 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 122.391 -0.193 . . . . 0.0 111.156 -177.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -57.92 -27.86 63.74 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.009 0.433 . . . . 0.0 111.114 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -69.26 -28.28 66.17 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.431 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -111.78 -52.99 2.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.274 -172.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -130.78 83.87 60.25 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.44 -53.19 4.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.059 2.506 . . . . 0.0 112.966 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.65 -40.18 91.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 110.742 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.2 m -67.85 -35.41 78.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.222 -175.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.586 ' HB2' HD21 ' A' ' 56' ' ' LEU . . . -58.05 -46.94 84.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.919 0.39 . . . . 0.0 110.926 178.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.6 t -71.26 -45.15 63.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.908 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -64.11 -32.8 74.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.831 0.348 . . . . 0.0 111.379 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 tp -67.56 -37.27 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.172 0.51 . . . . 0.0 110.179 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.596 ' NE ' HG21 ' A' ' 52' ' ' ILE . 19.6 mmt180 -67.65 -35.94 79.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.021 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.58 -30.67 72.59 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.272 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -71.23 -47.25 58.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.322 0.582 . . . . 0.0 109.904 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.83 -37.3 77.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.343 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.01 -48.05 64.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.501 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.67 -37.6 87.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.168 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.36 -49.08 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.566 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.39 -32.91 74.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.06 -47.67 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 109.845 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -60.59 -43.58 97.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.533 175.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.08 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.376 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.7 m -67.41 -44.61 78.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.81 -34.13 67.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 121.242 0.544 . . . . 0.0 110.429 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -72.54 -11.67 60.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.465 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.44 26.34 57.26 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.64 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -83.45 -32.64 25.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.185 0.517 . . . . 0.0 109.705 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -147.22 154.06 40.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.021 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -120.56 173.47 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 110.455 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.81 -162.31 24.11 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.234 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.521 ' OD1' ' HD3' ' A' ' 94' ' ' ARG . 5.7 t70 -87.79 170.93 10.78 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.469 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 45.8 t-20 -89.54 137.78 28.66 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 86.6 Cg_endo -86.24 -10.0 6.93 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.254 1.969 . . . . 0.0 113.678 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.04 3.0 56.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.521 ' HD3' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -102.53 150.36 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.966 0.412 . . . . 0.0 110.889 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.86 120.08 29.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.144 0.497 . . . . 0.0 112.088 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -104.33 103.33 13.05 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.15 -56.98 0.56 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -173.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.7 t80 61.68 -165.91 0.22 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.517 0.327 . . . . 0.0 110.269 173.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.45 -73.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.115 0.483 . . . . 0.0 109.839 175.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -152.76 104.93 2.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.1 176.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -76.75 104.53 7.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -137.5 134.59 35.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.879 0.371 . . . . 0.0 110.712 -176.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -65.96 0.97 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.677 172.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.0 t60 60.04 21.39 10.55 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.704 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -177.56 123.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.078 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.23 -0.891 . . . . 0.0 109.978 177.766 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.8 tpp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.621 0.248 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 74.6 p -97.0 164.26 12.6 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -63.33 -36.43 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -61.83 -47.06 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.632 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 45.7 mt-10 -63.33 -48.04 79.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.3 t -61.2 -44.96 96.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.935 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.17 89.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.931 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.21 82.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.987 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 86.5 mt -64.22 -43.11 95.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.475 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -56.9 -43.53 81.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.196 0.522 . . . . 0.0 110.222 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.465 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 90.5 mt -65.59 -50.05 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.08 178.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.5 ' HA ' ' HB3' ' A' ' 15' ' ' ARG . 93.2 mttt -67.21 -33.36 75.21 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.47 -14.31 56.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.775 0.322 . . . . 0.0 111.52 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.448 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 76.3 m80 -122.12 2.22 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.983 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.522 ' HA ' ' HB2' ' A' ' 18' ' ' TRP . 2.9 ptm180 -58.77 -21.67 56.3 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -166.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -77.0 -42.75 37.45 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.768 -0.582 . . . . 0.0 110.957 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -73.88 -14.93 61.15 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.522 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 1.6 m0 -107.59 65.38 0.64 Allowed 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.824 -174.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.612 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 48.6 mmtm -42.77 129.02 4.26 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 162.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.612 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 9.4 t30 80.73 4.3 1.65 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 48.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 19' ' ' LYS . 52.7 p -113.51 -169.24 1.46 Allowed 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 112.475 -2.148 . . . . 0.0 107.113 166.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -78.77 0.55 26.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 118.439 0.563 . . . . 0.0 112.335 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -60.46 -46.05 91.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.711 0.291 . . . . 0.0 110.775 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.19 86.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.55 -42.15 83.1 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.224 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.05 -38.85 77.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.909 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' HA ' HH11 ' A' ' 73' ' ' ARG . 9.0 m95 -67.0 -51.21 57.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 175.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 m -65.86 -51.12 61.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.901 -174.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.82 -49.98 75.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.858 -169.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.3 m -61.9 -48.04 82.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.772 0.32 . . . . 0.0 111.308 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.9 mt -67.27 -42.3 87.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.673 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 75.6 tttt -62.68 -35.12 78.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.079 0.466 . . . . 0.0 110.899 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.7 m -81.74 -51.56 8.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.861 -174.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -79.68 -49.15 12.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.6 m -88.77 -28.66 20.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.675 -0.238 . . . . 0.0 111.399 -174.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.537 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -50.04 -64.34 3.61 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 115.976 -0.557 . . . . 0.0 114.084 -176.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.9 -26.58 49.32 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.831 2.354 . . . . 0.0 113.526 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.425 HG11 HG22 ' A' ' 55' ' ' VAL . 24.2 t -92.99 -73.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.49 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.52 ' HA ' HD11 ' A' ' 42' ' ' LEU . 35.4 pt -101.59 0.76 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -173.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -56.43 -63.92 4.87 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-O 119.75 -0.472 . . . . 0.0 113.244 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 3.1 Cg_exo -76.42 -0.92 10.92 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.992 2.461 . . . . 0.0 112.515 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 39' ' ' ILE . 77.9 mt -81.47 159.06 24.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 t -67.16 147.52 52.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.797 0.332 . . . . 0.0 110.389 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG12 ' HB3' ' A' ' 87' ' ' ARG . 15.0 p -64.69 -17.79 22.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.464 ' CD ' ' HA ' ' A' ' 87' ' ' ARG . 22.6 mm-40 -74.01 -34.64 64.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.49 174.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -84.67 -5.99 59.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.94 109.88 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -129.13 165.26 21.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.445 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.466 HG21 ' HE3' ' A' ' 53' ' ' MET . 13.5 m -58.62 -40.52 83.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.725 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -58.56 -45.26 89.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.015 0.436 . . . . 0.0 109.921 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' O ' HG21 ' A' ' 55' ' ' VAL . 86.0 mt -66.37 -43.61 85.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.829 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.27 -41.06 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.466 ' HE3' HG21 ' A' ' 49' ' ' THR . 64.3 mtt -63.13 -36.48 83.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.799 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -68.95 -37.73 79.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.92 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 51' ' ' LEU . 51.0 t -68.15 -48.41 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.44 -24.94 60.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.291 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.543 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 4.3 t70 -49.12 -55.18 22.4 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 59.5 Cg_endo -74.36 -17.1 21.59 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.947 1.765 . . . . 0.0 112.589 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.2 mt -75.19 -37.0 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.988 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -58.8 -29.4 66.81 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.001 0.429 . . . . 0.0 111.494 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -73.33 -28.86 62.31 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.667 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -105.88 -49.55 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -135.69 79.07 47.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.152 -173.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.28 -40.96 17.42 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.494 2.129 . . . . 0.0 112.182 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -63.79 -40.71 97.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.134 0.492 . . . . 0.0 110.643 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.7 m -71.7 -32.55 67.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.795 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.8 93.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.725 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -71.17 -34.56 71.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -68.2 -32.84 73.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.27 0.557 . . . . 0.0 110.572 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 74' ' ' ILE . 51.4 tp -70.12 -43.1 71.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.219 177.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -61.13 -41.23 96.33 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.505 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.75 -38.43 95.18 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.133 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.59 HH11 ' HA ' ' A' ' 27' ' ' TRP . 75.9 mtm180 -70.86 -42.69 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.991 -0.123 . . . . 0.0 110.852 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 70' ' ' LEU . 75.5 mt -61.17 -46.9 95.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.576 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -55.07 -47.68 74.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.772 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.8 m -60.39 -44.04 96.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.179 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -67.12 -46.84 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.82 -43.58 98.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.543 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.99 -41.29 86.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.399 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -59.67 -44.06 93.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.165 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' A' ' 86' ' ' TYR . . . -64.32 -30.85 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.891 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.595 HG21 ' HA2' ' A' ' 89' ' ' GLY . 36.0 m -64.45 -44.75 90.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.354 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.1 -45.07 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.05 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.81 -19.39 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.104 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.01 31.76 16.51 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.711 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.475 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 38.1 m-85 -91.64 -28.73 17.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.464 ' HA ' ' CD ' ' A' ' 45' ' ' GLN . 4.9 ptm85 -135.97 171.71 14.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.44 173.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.37 175.46 6.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.799 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.595 ' HA2' HG21 ' A' ' 82' ' ' THR . . . -77.72 27.73 1.89 Allowed Glycine 0 CA--C 1.517 0.168 0 N-CA-C 115.488 0.955 . . . . 0.0 115.488 -166.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -118.88 143.76 46.79 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 117.398 0.599 . . . . 0.0 111.305 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -123.58 87.88 52.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.685 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.22 5.31 3.2 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.002 2.468 . . . . 0.0 113.345 -176.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.13 -22.55 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.012 0.434 . . . . 0.0 110.813 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -87.41 128.63 35.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.541 0.686 . . . . 0.0 110.458 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -115.14 122.69 46.85 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.24 -176.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -72.45 -25.25 61.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.86 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.17 88.96 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.662 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.566 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 52.2 t80 -106.77 -46.42 3.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 171.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.4 mt -100.82 17.81 21.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.888 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.07 120.7 8.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.55 -175.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -157.54 141.16 15.7 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -84.75 127.94 34.36 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.076 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -108.05 134.06 51.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.204 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -152.09 142.31 22.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.689 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -133.57 113.75 12.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 172.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 59.6 m170 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.577 -172.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -91.51 165.28 13.44 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.113 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -62.63 -43.21 99.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.872 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.6 m -64.82 -43.3 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.141 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.1 mt-10 -67.42 -43.08 82.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.132 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' A' ' 9' ' ' LEU . 13.6 t -62.03 -43.63 98.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.393 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.93 89.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.361 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.94 86.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.949 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.2 mt -60.42 -45.78 92.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.385 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.61 -49.37 77.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.937 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.573 HD13 ' HG1' ' A' ' 28' ' ' THR . 97.7 mt -61.61 -47.13 94.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.128 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.694 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 95.5 mttt -63.67 -33.08 74.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.82 -14.54 63.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.625 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -122.64 9.27 9.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.694 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 20.4 ptt180 -68.05 -26.38 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 110.59 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -72.02 -26.56 62.26 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.324 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -32.24 24.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.356 0.598 . . . . 0.0 110.097 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.2 m0 -96.59 42.94 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.733 -176.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 61.8 pttt -120.88 128.25 52.63 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.532 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 8.0 t30 -111.36 96.6 6.21 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.257 8.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.8 p -132.45 142.82 49.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.222 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.514 ' HE3' ' HB3' ' A' ' 22' ' ' LYS . 12.2 mtpp -87.49 -2.46 58.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 177.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.537 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 2.4 p-80 -61.95 -27.83 69.12 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 27' ' ' TRP . . . -56.71 -42.73 79.68 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.218 0.533 . . . . 0.0 110.826 174.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.2 -42.81 88.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.083 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -60.6 -33.61 72.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.425 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.537 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 7.9 m95 -54.59 -51.4 65.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.676 0.275 . . . . 0.0 110.266 174.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.573 ' HG1' HD13 ' A' ' 11' ' ' ILE . 9.4 m -69.46 -43.24 73.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.278 0.561 . . . . 0.0 110.537 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -58.45 -48.96 79.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.517 -174.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m -67.22 -45.87 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.319 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.9 mt -62.74 -41.92 94.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.775 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.36 -31.34 71.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.943 0.401 . . . . 0.0 110.809 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 m -77.6 -53.15 7.93 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -80.34 -50.15 10.55 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.6 m -93.04 -26.21 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.389 -172.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.01 -65.02 2.43 Favored Glycine 0 CA--C 1.523 0.543 0 O-C-N 123.755 0.659 . . . . 0.0 114.566 -175.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.95 -9.34 24.58 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.693 2.262 . . . . 0.0 113.372 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.415 HG13 HG21 ' A' ' 39' ' ' ILE . 27.3 t -106.23 -73.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.646 0.26 . . . . 0.0 111.431 -176.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' HA ' HD13 ' A' ' 42' ' ' LEU . 36.9 pt -108.88 6.36 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.566 -173.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.91 -64.41 4.32 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 116.124 -0.489 . . . . 0.0 113.546 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -75.3 5.06 4.36 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.77 2.314 . . . . 0.0 113.276 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 39' ' ' ILE . 84.4 mt -80.33 146.14 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.3 m -59.84 138.76 57.71 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 120.762 0.315 . . . . 0.0 110.644 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.653 HG23 HH21 ' A' ' 87' ' ' ARG . 6.0 p -70.31 -12.43 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 121.271 0.557 . . . . 0.0 111.04 -174.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -87.32 -26.83 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.494 0.664 . . . . 0.0 109.601 173.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.71 -15.42 32.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.673 -174.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -57.92 107.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -108.92 163.95 12.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.738 -175.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.3 m -65.15 -33.82 76.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.155 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 8.1 tmtt? -66.78 -38.54 86.75 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.81 -38.28 86.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.311 178.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.5 mt -67.08 -38.75 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.229 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 13.2 mmt -57.33 -36.68 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -59.87 -42.08 92.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.383 . . . . 0.0 110.742 177.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.3 t -74.04 -47.09 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.097 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.4 mt -78.97 -31.09 44.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -171.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.589 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 24.9 t0 -47.13 -56.22 12.93 Favored Pre-proline 0 N--CA 1.476 0.828 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -174.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 36.8 Cg_endo -68.67 -33.43 21.58 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.585 1.523 . . . . 0.0 112.138 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.568 HG23 ' HB3' ' A' ' 67' ' ' ALA . 32.9 mm -68.8 -31.07 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.088 -176.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -54.81 -37.41 66.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.964 0.411 . . . . 0.0 110.89 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.23 -42.68 13.59 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.346 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -66.7 -59.25 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 111.364 -177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -138.65 82.63 21.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.942 -173.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.11 -46.37 31.44 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.22 2.613 . . . . 0.0 113.291 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.19 -33.6 73.61 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.09 0.471 . . . . 0.0 110.743 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 m -71.86 -36.84 70.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.8 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HB3' HG23 ' A' ' 59' ' ' ILE . . . -61.08 -45.18 95.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.025 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 p -70.88 -39.48 72.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.302 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.72 -37.62 85.05 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.036 0.446 . . . . 0.0 111.11 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 54.4 tp -67.87 -41.99 81.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.706 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.481 ' NH1' ' HB2' ' A' ' 95' ' ' TRP . 5.1 ttp180 -62.93 -36.74 84.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.284 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.02 99.92 Favored Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.887 -178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 20.0 ptp180 -71.83 -34.3 69.18 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.469 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.21 -39.84 83.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.88 -48.42 70.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.722 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.8 t -66.33 -42.66 87.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.899 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 73' ' ' ARG . 91.3 t -65.04 -46.42 91.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.944 0.402 . . . . 0.0 110.678 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD11 ' HD2' ' A' ' 92' ' ' PRO . 74.4 mt -61.62 -46.94 87.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.36 -40.13 89.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.912 0.387 . . . . 0.0 110.966 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.21 -45.57 94.03 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.681 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.98 -31.66 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.6 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.2 m -64.3 -48.69 74.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.777 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.2 -36.28 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.694 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -66.51 -15.39 63.35 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.104 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.33 33.96 11.14 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.142 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -90.82 -4.76 56.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.023 0.44 . . . . 0.0 110.614 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.653 HH21 HG23 ' A' ' 44' ' ' VAL . 10.2 ptp85 -166.03 171.34 12.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.126 174.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -116.93 164.36 14.8 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.37 -138.26 15.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.581 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -117.84 178.59 4.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -83.09 144.13 46.8 Favored Pre-proline 0 N--CA 1.445 -0.721 0 CA-C-O 120.861 0.362 . . . . 0.0 110.388 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.506 ' HD2' HD11 ' A' ' 78' ' ' LEU . 60.2 Cg_endo -73.65 0.26 8.41 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.78 2.32 . . . . 0.0 113.235 -177.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.4 18.03 21.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.0 115.22 10.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.36 0.6 . . . . 0.0 111.873 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.481 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -143.78 104.0 4.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.859 178.626 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -75.36 -17.3 60.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.006 0.431 . . . . 0.0 110.571 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.81 68.72 0.27 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.141 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -70.58 -65.28 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.473 0.177 . . . . 0.0 110.624 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.6 mt -124.2 -75.59 0.6 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.942 0.401 . . . . 0.0 110.559 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -127.07 124.51 39.43 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -139.92 63.64 1.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 0.0 110.891 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -96.1 -81.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 171.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 15.6 t60 56.85 93.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 O-C-N 123.829 0.705 . . . . 0.0 110.386 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -56.91 125.64 23.43 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -176.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -110.02 178.66 4.34 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 -173.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 68.8 t60 . . . . . 0 C--O 1.247 0.968 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 174.779 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.459 ' O ' ' HA ' ' A' ' 43' ' ' SER . 42.9 tpp . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 67.5 p -95.64 162.57 13.56 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -58.96 -40.06 83.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.718 0.294 . . . . 0.0 110.634 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 m -60.97 -46.98 88.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.5 mt-10 -66.94 -43.97 81.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t -62.79 -44.76 95.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.717 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.28 -40.95 87.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.675 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.5 -33.59 76.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.879 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.0 mt -68.07 -41.78 81.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.364 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -57.13 -48.25 79.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.486 . . . . 0.0 110.287 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.56 HD12 ' HG1' ' A' ' 28' ' ' THR . 96.3 mt -58.84 -49.46 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.062 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.681 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.6 mttp -65.25 -34.45 78.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.509 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.78 -18.98 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.859 0.361 . . . . 0.0 111.362 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -112.39 -2.99 14.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.554 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 42.5 ptt85 -56.92 -29.13 62.8 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -171.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 m -70.35 -42.51 71.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.78 0.324 . . . . 0.0 110.979 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -74.78 -16.17 60.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.785 0.802 . . . . 0.0 108.973 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.564 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 4.0 m0 -100.79 56.26 0.87 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.457 -1.247 . . . . 0.0 113.428 -172.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.924 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 43.4 mmtm -62.07 88.54 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 152.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.924 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 27.0 t-20 90.88 79.65 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 127.386 2.274 . . . . 0.0 107.525 49.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 p -151.23 -161.12 1.26 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 111.118 -2.765 . . . . 0.0 107.012 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.4 mmmt -57.07 -20.23 23.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.804 0.275 . . . . 0.0 111.709 175.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -60.27 -53.16 60.96 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.532 0.206 . . . . 0.0 111.331 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -34.92 75.9 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.088 0.47 . . . . 0.0 110.44 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.64 -51.31 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.871 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.8 mm-40 -60.2 -41.8 93.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.065 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -57.95 -51.13 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 111.073 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.56 ' HG1' HD12 ' A' ' 11' ' ' ILE . 9.7 m -68.72 -41.01 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.251 0.548 . . . . 0.0 110.283 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -64.28 -48.96 73.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.937 -172.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 p -66.93 -50.49 62.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.732 0.301 . . . . 0.0 111.705 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.79 -41.02 90.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 3.5 tmmm? -62.56 -35.47 79.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.159 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.9 m -81.78 -51.97 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.887 -175.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -78.61 -49.8 12.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 39.1 m -88.48 -24.08 23.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.535 0.207 . . . . 0.0 111.469 -173.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.498 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -50.04 -64.72 3.34 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.77 -0.65 . . . . 0.0 114.431 -175.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.93 -24.14 78.72 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.697 2.265 . . . . 0.0 113.868 -174.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -96.7 -70.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.488 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.2 pt -104.05 -0.09 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.632 0.253 . . . . 0.0 111.458 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -53.83 -63.16 5.37 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.571 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 6.9 Cg_exo -74.24 4.88 3.97 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.133 2.556 . . . . 0.0 113.243 -177.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 39' ' ' ILE . 94.8 mt -89.74 143.87 26.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 1' ' ' MET . 12.5 m -61.27 135.85 57.86 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.326 177.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.421 HG12 ' HB3' ' A' ' 86' ' ' TYR . 11.1 p -59.92 -24.34 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.64 -175.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 63.7 tt0 -73.8 -26.11 60.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.24 0.543 . . . . 0.0 111.079 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.81 -14.26 34.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.951 0.405 . . . . 0.0 110.629 -174.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.04 114.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.484 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -120.92 167.97 11.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.806 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.474 HG21 ' HE3' ' A' ' 53' ' ' MET . 33.4 m -55.15 -43.89 74.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.382 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 2.2 tmtp? -64.56 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.06 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.86 -38.21 90.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.8 -39.37 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.261 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.474 ' HE3' HG21 ' A' ' 49' ' ' THR . 66.9 mtt -58.94 -37.21 76.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.794 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 59.5 mtpt -62.07 -38.02 87.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -71.92 -43.46 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.48 -24.8 50.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.656 -175.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.579 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 16.4 t70 -43.91 -57.11 6.42 Favored Pre-proline 0 N--CA 1.472 0.653 0 O-C-N 123.849 0.718 . . . . 0.0 112.699 -175.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 58.8 Cg_endo -71.99 -23.6 21.64 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 121.793 1.662 . . . . 0.0 112.526 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.7 mm -75.43 -30.7 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 -175.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.427 ' O ' ' HG3' ' A' ' 64' ' ' PRO . 70.7 m95 -61.84 -28.63 69.62 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.347 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -82.13 -35.98 27.94 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.803 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -80.91 -60.32 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.234 -177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.571 ' HE3' ' OG1' ' A' ' 66' ' ' THR . 28.9 mtpp -143.4 85.24 9.62 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.172 -175.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.427 ' HG3' ' O ' ' A' ' 60' ' ' TRP . 32.4 Cg_exo -56.4 -49.74 14.1 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.368 2.712 . . . . 0.0 113.23 -174.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 71.2 mm-40 -60.8 -38.73 86.34 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.143 0.497 . . . . 0.0 110.716 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.571 ' OG1' ' HE3' ' A' ' 63' ' ' LYS . 29.9 m -68.01 -32.82 73.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.843 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 71' ' ' ARG . . . -62.23 -43.02 99.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.899 0.381 . . . . 0.0 111.073 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.686 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 24.1 t -70.22 -37.51 75.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.488 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 63.1 mtt180 -70.37 -32.49 70.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.025 0.441 . . . . 0.0 111.048 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.12 -34.22 77.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.308 176.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.686 ' HE ' ' HA ' ' A' ' 68' ' ' SER . 45.7 mtm180 -55.82 -36.15 67.16 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.555 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.54 -36.2 90.82 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.642 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -68.02 -47.37 68.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.011 0.434 . . . . 0.0 109.963 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.5 mt -61.87 -44.51 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.489 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.8 -44.66 96.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.391 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.0 m -60.59 -43.14 97.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.316 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.85 -43.22 79.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.18 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD11 ' HD2' ' A' ' 92' ' ' PRO . 94.2 mt -63.86 -36.05 82.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.464 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.27 -45.21 85.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.231 0.539 . . . . 0.0 110.11 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -60.83 -44.51 96.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.349 176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.9 -36.83 82.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.397 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.744 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 87.5 m -65.2 -42.48 93.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.977 0.417 . . . . 0.0 111.373 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.1 t -70.42 -34.21 57.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 110.563 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 84' ' ' ARG . 3.1 mpt_? -80.75 -4.07 53.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.588 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.42 3.25 78.55 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.888 172.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' HB3' HG12 ' A' ' 44' ' ' VAL . 36.8 m-85 -70.1 -21.48 63.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.448 0.642 . . . . 0.0 109.892 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.744 ' O ' ' HA ' ' A' ' 82' ' ' THR . 11.6 ptm180 -154.56 147.86 24.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 171.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -134.58 163.28 30.08 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.033 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.38 -102.15 0.99 Allowed Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.58 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.01 162.75 38.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -82.28 141.1 45.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.483 ' HD2' HD11 ' A' ' 78' ' ' LEU . 93.4 Cg_endo -92.57 5.23 3.38 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.882 2.388 . . . . 0.0 112.735 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.55 1.4 46.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.69 -175.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.532 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 5.0 ppt_? -96.55 142.95 28.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.965 0.412 . . . . 0.0 110.607 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.438 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -136.46 158.99 43.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.456 -175.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.44 -52.49 4.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.354 173.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.43 52.71 0.42 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.283 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.438 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 74.6 t80 -51.91 -53.67 38.23 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.174 0.511 . . . . 0.0 110.303 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.5 mt -91.44 -74.09 0.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.863 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -160.11 131.58 5.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -119.57 82.9 1.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -120.1 110.93 17.23 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -59.82 -56.17 25.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.626 -172.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.541 ' CG ' ' H ' ' A' ' 105' ' ' HIS . 23.6 t-80 60.22 -167.52 0.18 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.541 ' H ' ' CG ' ' A' ' 104' ' ' HIS . 3.5 t-160 72.8 115.96 0.05 Allowed 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 122.863 0.465 . . . . 0.0 110.743 173.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 . . . . . 0 C--O 1.243 0.717 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.954 177.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.6 p -86.09 162.81 18.24 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.033 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.24 -41.42 96.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.728 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m -60.85 -40.87 94.49 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.804 0.335 . . . . 0.0 110.94 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 51.6 mt-10 -67.46 -48.35 67.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.23 -44.02 96.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.778 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.46 93.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.568 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.65 97.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 88.9 mt -63.74 -37.45 87.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.74 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -57.68 -44.36 85.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.105 0.478 . . . . 0.0 110.161 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.0 -47.95 65.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.47 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.551 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 95.7 mttt -56.98 -46.1 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.702 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.69 -3.82 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -130.1 6.64 5.0 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.212 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 16.4 ptt180 -72.57 -15.98 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.008 0.433 . . . . 0.0 111.155 -174.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -90.31 -29.39 18.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.812 173.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 m -74.6 -17.44 60.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.847 0.832 . . . . 0.0 109.038 173.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -114.32 77.9 1.1 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.38 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.938 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 66.4 mttm -61.48 84.73 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 160.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.938 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 33.6 t30 93.24 84.8 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 127.306 2.242 . . . . 0.0 107.373 50.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 p -164.9 -161.26 0.54 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 110.06 -3.246 . . . . 0.0 104.91 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -63.49 -2.44 1.59 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.21 -45.87 79.69 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 174.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.05 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.217 0.532 . . . . 0.0 110.118 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.81 -43.4 93.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.754 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -57.84 -42.56 84.66 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.213 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -66.02 -47.99 72.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.251 176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 25.5 m -69.02 -49.27 59.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.544 -175.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -57.75 -46.61 84.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.707 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.0 p -63.78 -53.14 55.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.732 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.21 -39.93 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.05 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 28' ' ' THR . 7.3 tmtt? -60.08 -38.62 83.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.251 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.8 m -81.84 -49.98 9.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.995 -174.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -79.34 -48.07 14.7 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.4 m -88.42 -28.13 21.1 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.55 -64.42 3.68 Favored Glycine 0 CA--C 1.523 0.585 0 O-C-N 123.653 0.596 . . . . 0.0 114.388 -175.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -58.52 -20.66 50.52 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.949 2.433 . . . . 0.0 113.93 -175.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.49 -79.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.434 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.489 ' HA ' HD11 ' A' ' 42' ' ' LEU . 31.3 pt -96.26 4.63 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 111.466 -174.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.1 -63.45 5.26 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.537 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.5 5.46 3.73 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.979 2.453 . . . . 0.0 113.087 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.489 HD11 ' HA ' ' A' ' 39' ' ' ILE . 84.6 mt -88.56 160.59 17.38 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -71.08 138.68 49.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' HA ' HG23 ' A' ' 47' ' ' VAL . 14.5 p -66.42 -22.03 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.562 0.696 . . . . 0.0 109.693 175.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.588 ' HG2' ' HB2' ' A' ' 87' ' ' ARG . 20.1 tm0? -75.07 -36.99 61.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.332 178.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -82.79 -7.63 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -177.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.477 HG23 ' HA ' ' A' ' 44' ' ' VAL . 94.8 t -58.11 105.65 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.128 0.489 . . . . 0.0 111.068 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -116.89 167.07 11.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.007 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 53' ' ' MET . 1.4 m -58.36 -38.93 78.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.586 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -62.73 -39.07 92.93 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.007 0.432 . . . . 0.0 110.403 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.62 -38.77 90.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.674 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.46 -38.74 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.245 177.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.3 mtt -59.45 -37.45 78.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -61.56 -38.18 86.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.3 t -75.32 -42.98 43.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.097 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.5 mt -76.72 -24.35 53.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -172.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.559 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.7 t70 -47.0 -55.56 14.84 Favored Pre-proline 0 N--CA 1.474 0.751 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -175.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 71.8 Cg_endo -77.18 -19.29 13.67 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.841 1.694 . . . . 0.0 113.299 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.56 HG23 ' HB2' ' A' ' 67' ' ' ALA . 57.0 mt -77.66 -39.72 27.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 O-C-N 122.462 -0.149 . . . . 0.0 111.3 -175.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -58.79 -29.98 67.23 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.16 0.505 . . . . 0.0 111.221 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -77.77 -27.18 50.24 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.191 -177.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -94.9 -61.89 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.323 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -140.47 85.86 12.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.178 -172.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.54 -31.06 93.62 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.777 2.318 . . . . 0.0 112.467 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.41 -45.02 92.91 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.238 0.542 . . . . 0.0 110.454 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -71.22 -36.4 71.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.21 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.56 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -62.18 -40.99 97.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.519 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.1 m -65.65 -40.48 92.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.585 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -67.98 -38.49 82.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.887 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.2 tp -63.88 -39.34 93.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.915 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -54.47 -49.74 69.38 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.13 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.58 -41.92 98.99 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.5 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -68.12 -43.07 79.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.543 0.211 . . . . 0.0 110.977 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.06 -39.52 85.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.65 0.262 . . . . 0.0 110.604 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -56.25 -48.48 76.45 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.694 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.6 m -61.78 -43.78 98.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.493 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.14 -47.81 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.956 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.488 HD11 ' HD2' ' A' ' 92' ' ' PRO . 88.7 mt -65.78 -39.79 91.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.261 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' O ' HG21 ' A' ' 83' ' ' VAL . 32.4 t70 -65.52 -41.91 92.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.343 . . . . 0.0 110.357 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.412 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 64.9 t90 -58.11 -51.06 71.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.373 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.58 96.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.137 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.7 m -64.16 -43.27 95.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 79' ' ' ASP . 92.1 t -68.81 -40.04 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.82 178.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 24.8 mmm180 -69.24 -16.05 63.5 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.64 32.93 8.24 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.743 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -84.26 -15.02 48.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.025 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.588 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 11.5 ptt180 -164.48 164.48 21.87 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -96.08 176.1 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.56 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.54 -125.69 7.53 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.691 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -156.02 172.47 18.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -90.86 143.19 28.37 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 118.395 0.543 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.505 ' HD3' ' NH2' ' A' ' 87' ' ' ARG . 85.9 Cg_endo -87.82 5.68 5.35 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.019 2.479 . . . . 0.0 112.888 -174.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.49 -11.48 59.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -87.65 126.56 35.03 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.922 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -117.34 116.29 26.92 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.465 -178.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -73.17 -38.49 66.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.931 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.26 -21.47 2.79 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.24 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.6 t80 65.67 175.2 0.22 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.906 0.482 . . . . 0.0 110.648 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.13 -31.3 72.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.267 0.556 . . . . 0.0 110.394 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.6 ' HG2' ' H ' ' A' ' 101' ' ' HIS . 9.3 tt0 -87.74 -150.71 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.895 177.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.6 ' H ' ' HG2' ' A' ' 100' ' ' GLU . 32.7 t-80 -137.7 79.98 1.78 Allowed 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.094 -0.379 . . . . 0.0 110.58 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.0 t60 54.29 80.56 0.12 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.3 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -70.87 110.52 5.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.163 0.506 . . . . 0.0 110.807 -175.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 53.4 t-80 -106.82 17.05 23.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.572 178.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 30.7 m170 63.92 -88.78 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -165.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.4 m80 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.075 170.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.0 p -91.99 168.25 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.415 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -65.41 -39.89 92.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.587 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -64.49 -40.48 95.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.42 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 49.0 mt-10 -65.67 -49.39 68.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.4 t -60.88 -45.12 95.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.601 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.2 86.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.786 177.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -62.42 -30.81 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 77.7 mt -73.02 -43.76 61.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.642 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -56.76 -48.55 77.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.564 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.577 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 95.3 mt -58.51 -40.14 77.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.238 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 61.4 mttp -71.09 -45.06 64.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.751 0.31 . . . . 0.0 111.391 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.5 -28.92 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.003 0.43 . . . . 0.0 111.713 -176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -107.11 6.76 29.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.65 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -67.43 -37.58 83.24 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.626 0.25 . . . . 0.0 110.867 -175.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -67.08 -28.43 68.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.998 0.428 . . . . 0.0 110.889 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -70.89 -33.78 70.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.853 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -90.47 -39.4 12.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.827 0.346 . . . . 0.0 111.235 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.947 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 21.8 tttp 67.78 108.09 0.05 OUTLIER 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -156.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.947 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER 79.97 8.89 1.48 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.101 2.161 . . . . 0.0 106.479 36.77 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' HG2' ' A' ' 19' ' ' LYS . 11.7 p -112.29 -85.11 0.58 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 113.8 -1.545 . . . . 0.0 109.193 166.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -108.79 -20.22 13.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.072 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 33.6 m-70 -55.22 -35.08 64.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.346 -172.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.23 93.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.813 0.339 . . . . 0.0 110.642 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.1 -36.45 66.77 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -58.8 -41.87 87.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.186 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -71.61 -46.7 58.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.3 m -61.34 -50.27 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.53 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -54.78 -50.25 68.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.967 -170.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 m -61.44 -53.61 54.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.46 -42.0 89.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.043 -175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -64.4 -32.99 74.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.022 0.439 . . . . 0.0 110.51 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.8 m -82.67 -51.59 7.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.22 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -79.07 -50.05 11.68 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.422 ' SG ' HD21 ' A' ' 70' ' ' LEU . 60.3 m -85.49 -30.66 23.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -174.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.71 -65.08 3.03 Favored Glycine 0 CA--C 1.522 0.474 0 O-C-N 123.877 0.736 . . . . 0.0 114.155 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.77 -20.23 34.45 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.942 2.428 . . . . 0.0 113.811 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.617 HG13 HG22 ' A' ' 55' ' ' VAL . 29.1 t -100.63 -73.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.546 -176.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.5 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.8 pt -104.92 4.22 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.565 0.221 . . . . 0.0 111.567 -174.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.28 -63.69 4.95 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 116.159 -0.473 . . . . 0.0 113.33 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.78 5.49 4.34 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.98 2.453 . . . . 0.0 113.016 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 39' ' ' ILE . 78.3 mt -86.31 153.16 22.17 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.433 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 32.7 t -61.97 141.53 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.439 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.1 -22.17 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.008 0.432 . . . . 0.0 110.142 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -80.18 -33.18 38.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' OD2' ' HB3' ' A' ' 43' ' ' SER . 3.0 m-20 -69.95 -24.53 63.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.394 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.9 t -55.56 111.54 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.486 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 49' ' ' THR . 32.5 t70 -132.74 173.4 11.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.106 -176.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.422 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 1.3 m -52.18 -49.25 64.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.902 0.751 . . . . 0.0 112.452 -174.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -71.41 -34.13 70.07 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -174.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.36 -41.87 98.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.754 0.311 . . . . 0.0 110.252 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.94 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.079 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.462 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 65.8 mtt -61.1 -40.1 92.47 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.235 178.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -59.87 -37.12 78.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.47 0.176 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.617 HG22 HG13 ' A' ' 38' ' ' VAL . 39.3 t -70.47 -48.77 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -76.42 -28.78 56.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.325 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.575 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 1.3 t70 -51.68 -53.21 53.09 Favored Pre-proline 0 N--CA 1.47 0.53 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -174.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 21.7 Cg_exo -63.27 -34.74 66.4 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.911 1.741 . . . . 0.0 112.036 175.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 57.3 mt -71.64 -32.78 46.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.424 -174.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -54.59 -25.4 26.12 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.96 -39.37 42.78 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 120.841 0.353 . . . . 0.0 111.908 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -105.97 -42.17 5.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -174.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -125.1 69.17 58.62 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.879 -173.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -63.9 -49.37 4.08 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.2 1.934 . . . . 0.0 112.118 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 38.9 tt0 -60.54 -41.5 94.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.882 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 m -69.53 -39.38 77.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.661 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 71' ' ' ARG . . . -61.76 -39.57 92.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.002 0.43 . . . . 0.0 109.972 175.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -64.19 -43.0 96.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.471 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 43.8 mtt180 -61.87 -43.53 98.66 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.117 0.485 . . . . 0.0 110.36 176.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.422 HD21 ' SG ' ' A' ' 35' ' ' CYS . 31.5 tp -61.14 -38.09 85.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.053 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 35.8 mtm180 -55.07 -44.38 74.74 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 178.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.59 -38.83 95.07 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.384 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.473 ' O ' HG22 ' A' ' 77' ' ' VAL . 92.1 mtt180 -67.94 -44.96 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.659 0.266 . . . . 0.0 110.687 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.6 -38.76 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.016 0.436 . . . . 0.0 109.901 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.44 -48.08 81.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.533 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -66.97 -33.25 75.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.724 0.297 . . . . 0.0 111.7 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 73' ' ' ARG . 85.6 t -71.24 -44.51 73.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 120.851 0.358 . . . . 0.0 110.794 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.57 -38.59 91.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.334 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.04 -45.22 93.28 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.005 0.431 . . . . 0.0 110.088 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.46 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 77.5 t90 -58.18 -51.18 70.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.406 ' HA ' ' HD2' ' A' ' 86' ' ' TYR . . . -63.95 -32.91 74.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.737 0.303 . . . . 0.0 111.316 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.787 HG23 ' HA3' ' A' ' 89' ' ' GLY . 70.8 m -65.08 -49.69 69.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.956 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.7 t -70.62 -37.8 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -177.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 17.0 mmm180 -70.37 -25.35 63.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.264 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.31 37.62 5.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.288 175.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.406 ' HD2' ' HA ' ' A' ' 81' ' ' ALA . 85.0 m-85 -91.25 -20.9 21.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.383 . . . . 0.0 110.277 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -161.63 157.93 25.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.78 142.3 56.14 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 170.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.787 ' HA3' HG23 ' A' ' 82' ' ' THR . . . -127.26 -132.75 3.68 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.2 -1.476 . . . . 0.0 115.673 -163.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.5 114.68 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 114.301 -0.949 . . . . 0.0 109.027 -160.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.516 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 14.6 t-20 -72.35 136.88 81.21 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.378 -161.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 93.9 Cg_endo -87.22 -10.66 5.57 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.066 2.51 . . . . 0.0 112.372 173.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.87 2.87 40.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.242 0.544 . . . . 0.0 110.676 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -102.68 114.78 29.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.698 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -113.61 147.36 38.2 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.43 -173.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -75.77 -21.22 57.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.669 0.747 . . . . 0.0 109.014 171.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.43 89.63 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.046 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.404 ' HD2' ' HG ' ' A' ' 99' ' ' LEU . 67.1 t80 -50.64 -53.67 29.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.023 0.439 . . . . 0.0 110.588 -177.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.404 ' HG ' ' HD2' ' A' ' 98' ' ' TYR . 89.1 mt -114.88 -20.96 10.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 109.767 175.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -83.04 24.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.641 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -71.39 -12.12 61.25 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.323 -178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -96.21 93.13 6.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.39 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 54.36 85.04 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 O-C-N 124.081 0.863 . . . . 0.0 112.023 176.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -111.51 161.5 16.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.671 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -72.81 139.82 47.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.243 0.734 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.617 -177.544 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 tpp . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.893 0.377 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 60.4 p -103.68 167.9 9.49 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.831 175.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.71 -41.62 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.433 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -60.09 -43.89 95.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.097 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 41.8 mt-10 -66.0 -45.65 80.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.12 -40.85 90.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.244 0.545 . . . . 0.0 110.071 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.48 94.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.234 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.22 75.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.074 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 92.7 mt -61.21 -49.59 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.968 0.413 . . . . 0.0 110.14 176.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -58.22 -44.9 88.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.735 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.24 -50.33 53.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.964 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -68.97 -34.54 75.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.453 0.168 . . . . 0.0 111.445 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.07 -6.77 36.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.323 . . . . 0.0 111.656 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -132.76 9.34 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.128 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -64.64 -36.27 83.72 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -172.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -72.72 -25.72 61.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.169 0.509 . . . . 0.0 110.588 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 m -86.9 -12.99 46.09 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.7 m0 -93.09 31.25 1.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.169 0.509 . . . . 0.0 111.987 -176.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -72.72 145.31 47.24 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 165.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -96.32 132.32 41.93 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 125.47 1.508 . . . . 0.0 111.959 18.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.7 p 67.1 -164.37 0.22 Allowed 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 114.106 -1.406 . . . . 0.0 113.777 170.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.71 ' HB3' ' HB3' ' A' ' 25' ' ' ASP . 33.6 mtmt -71.1 36.68 0.05 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -163.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -55.23 -35.2 64.66 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 120.641 0.257 . . . . 0.0 110.691 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.13 -39.4 78.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.957 0.408 . . . . 0.0 111.113 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.71 ' HB3' ' HB3' ' A' ' 22' ' ' LYS . 38.4 t70 -66.07 -39.03 89.73 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.035 0.445 . . . . 0.0 109.874 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -58.39 -45.43 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.58 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -62.19 -51.22 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.974 177.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m -60.58 -48.99 79.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.196 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.48 -48.14 78.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.542 -173.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 p -64.9 -51.07 63.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.664 0.268 . . . . 0.0 111.64 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.415 HD13 ' HB3' ' A' ' 73' ' ' ARG . 78.2 mt -61.39 -43.16 96.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.072 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -64.21 -29.57 70.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.7 m -81.48 -51.99 7.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.031 0.443 . . . . 0.0 111.76 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -79.95 -49.32 12.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' HG ' HG13 ' A' ' 55' ' ' VAL . 36.3 m -87.95 -22.35 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.107 -175.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.463 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -51.87 -67.64 1.92 Allowed Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.974 -0.557 . . . . 0.0 113.94 -175.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.97 -5.05 4.25 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 122.904 2.403 . . . . 0.0 114.057 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.0 t -107.61 -66.39 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 111.02 -178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' HA ' HD13 ' A' ' 42' ' ' LEU . 34.3 pt -116.77 2.45 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.627 -175.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.509 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -54.29 -63.57 5.06 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 116.088 -0.506 . . . . 0.0 113.329 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 6.7 Cg_exo -74.6 5.94 3.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.053 2.502 . . . . 0.0 113.028 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 39' ' ' ILE . 83.3 mt -94.44 168.05 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.434 ' O ' HG21 ' A' ' 47' ' ' VAL . 47.2 t -68.74 139.47 55.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.874 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.8 p -70.47 -20.02 22.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.502 0.668 . . . . 0.0 109.675 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 23.4 tm0? -77.16 -37.65 53.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.238 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.9 -18.86 60.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.121 -175.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.552 ' HA ' HD13 ' A' ' 51' ' ' LEU . 88.0 t -59.94 114.19 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.047 0.451 . . . . 0.0 110.468 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.6 t70 -133.76 -173.18 3.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.091 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 m -58.54 -43.24 89.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.58 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -57.92 -45.19 86.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.02 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.56 ' O ' HG22 ' A' ' 55' ' ' VAL . 78.2 mt -67.93 -46.22 72.13 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.328 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.462 HD13 ' HB2' ' A' ' 92' ' ' PRO . 67.2 mt -61.07 -44.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.551 0.215 . . . . 0.0 111.544 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.6 ptp -64.37 -34.44 78.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.858 0.361 . . . . 0.0 110.6 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.724 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.67 -37.57 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.224 177.04 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 51' ' ' LEU . 94.5 t -61.21 -45.99 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.531 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 59' ' ' ILE . 97.8 mt -72.21 -24.43 61.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.551 -177.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.568 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 4.8 t70 -48.11 -57.17 11.08 Favored Pre-proline 0 CA--C 1.541 0.606 0 O-C-N 123.705 0.628 . . . . 0.0 112.513 -174.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 72.9 Cg_endo -76.34 -14.57 18.28 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.744 1.629 . . . . 0.0 112.598 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 56' ' ' LEU . 61.2 mt -76.25 -34.38 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.561 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -60.99 -26.82 67.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.024 0.44 . . . . 0.0 110.743 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -75.94 -47.92 23.29 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.692 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.2 -65.25 0.87 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.936 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.69 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -132.36 85.6 48.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.511 -174.262 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.79 -26.54 79.65 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.592 2.195 . . . . 0.0 112.45 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -71.15 -45.1 64.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.456 0.646 . . . . 0.0 110.04 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -71.72 -31.02 66.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.174 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.08 75.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 111.13 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -70.23 -39.94 74.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -68.22 -37.54 80.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.231 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.46 -33.92 75.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.116 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -54.69 -37.34 65.69 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.403 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.59 -36.24 91.1 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.606 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HB3' HD13 ' A' ' 31' ' ' ILE . 72.8 mtt85 -71.28 -45.33 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.16 -41.55 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.127 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HA ' HD22 ' A' ' 91' ' ' ASN . 37.9 tt0 -59.7 -49.03 79.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.234 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -60.94 -39.18 88.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.313 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.3 t -70.96 -47.34 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.008 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.73 -37.33 82.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.308 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -59.45 -47.15 86.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 109.912 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -62.21 -49.52 75.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.663 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.58 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.737 -177.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.2 m -65.3 -44.09 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.31 -33.14 60.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.077 0.465 . . . . 0.0 110.691 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -77.48 -4.12 43.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.847 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.2 13.3 68.88 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.364 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -78.92 -19.64 51.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.089 0.471 . . . . 0.0 110.057 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 8.4 ptm180 -159.19 150.49 20.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -109.9 166.33 11.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.995 0.426 . . . . 0.0 111.071 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.57 -143.14 15.78 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.472 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.25 -175.08 2.73 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.466 HD22 ' HA ' ' A' ' 75' ' ' GLU . 15.8 t30 -94.64 136.2 23.31 Favored Pre-proline 0 C--N 1.319 -0.743 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.791 -178.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.462 ' HB2' HD13 ' A' ' 52' ' ' ILE . 2.8 Cg_exo -79.17 -20.62 9.8 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.935 2.423 . . . . 0.0 113.5 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.44 2.06 23.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -75.2 -64.54 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.966 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.558 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER 69.96 125.13 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 177.307 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -74.09 -30.52 62.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.74 173.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 160.46 77.03 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.98 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.558 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 62.9 t80 -71.24 -42.01 69.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.065 0.459 . . . . 0.0 110.291 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.58 -65.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.965 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -110.7 151.23 27.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.957 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -124.0 98.2 5.69 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 170.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.33 143.05 27.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.413 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -79.83 144.88 33.1 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 105' ' ' HIS . 56.5 t-80 -50.06 -55.13 16.05 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.448 0.467 . . . . 0.0 111.705 -176.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.462 ' HB3' ' O ' ' A' ' 104' ' ' HIS . 44.6 t-80 72.72 137.59 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.146 0.904 . . . . 0.0 110.361 -175.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.307 -0.854 . . . . 0.0 109.896 178.487 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.5 tpp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.2 p -91.97 167.32 12.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.9 -41.74 95.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.503 -177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 m -62.44 -44.74 95.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.651 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -65.79 -45.44 82.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.93 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 t -60.91 -46.06 92.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.472 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.16 94.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.987 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.01 97.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.872 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.6 -39.75 94.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -57.5 -49.54 75.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.034 0.445 . . . . 0.0 110.405 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.452 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 80.1 mt -59.62 -48.38 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.857 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.711 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 97.7 mttt -68.9 -33.31 73.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.66 -178.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -18.01 62.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 111.184 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.557 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 61.2 m-70 -114.6 -11.31 12.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 10.6 ptm180 -54.16 -25.36 22.1 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -169.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 t -64.54 -38.29 90.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.053 0.454 . . . . 0.0 110.7 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -92.69 -15.11 27.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.126 0.965 . . . . 0.0 108.926 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.557 ' HB2' ' O ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -98.97 39.96 1.24 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.904 -1.498 . . . . 0.0 112.683 -171.625 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.778 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 55.8 mttp -47.04 104.47 0.05 Allowed 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 163.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.778 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 2.9 t-20 88.4 14.32 0.08 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.892 2.077 . . . . 0.0 105.834 55.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 p -95.65 -162.61 0.97 Allowed 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 112.297 -2.229 . . . . 0.0 107.619 159.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -68.3 -9.39 47.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -55.71 -50.13 71.16 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 120.69 0.281 . . . . 0.0 111.292 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.54 80.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 110.325 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.87 -46.31 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.197 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.73 -33.56 68.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.724 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.502 ' CE3' ' HG3' ' A' ' 73' ' ' ARG . 8.8 m95 -76.79 -50.65 13.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 110.951 176.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.4 m -63.08 -47.5 82.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.203 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -56.56 -45.45 81.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.272 -175.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.485 ' HB ' HD13 ' A' ' 70' ' ' LEU . 8.3 p -62.76 -44.23 96.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.754 0.311 . . . . 0.0 111.722 -178.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.0 mt -73.6 -44.8 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.126 0.488 . . . . 0.0 110.776 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.84 -38.37 78.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.912 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.7 m -82.7 -53.79 5.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.029 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -80.36 -50.41 10.18 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -174.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -85.66 -31.26 22.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.635 -170.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.507 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -45.26 -64.71 2.15 Favored Glycine 0 CA--C 1.524 0.63 0 O-C-N 123.793 0.683 . . . . 0.0 114.784 -175.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.27 -20.04 49.54 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.402 2.068 . . . . 0.0 113.72 -174.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -96.94 -73.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.658 -174.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.7 pt -101.03 -3.03 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.43 -174.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.96 -63.54 4.93 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.767 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 7.2 Cg_exo -74.43 5.21 3.84 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.981 2.454 . . . . 0.0 113.344 -177.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.8 mt -92.34 150.69 20.69 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m -57.95 128.9 39.41 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.579 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.99 -22.72 31.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.379 0.609 . . . . 0.0 111.129 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.443 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 33.7 tt0 -77.97 -24.35 48.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.316 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -97.53 -0.24 46.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.465 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.36 123.73 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.663 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.448 ' HB2' ' HG ' ' A' ' 51' ' ' LEU . 46.0 m-20 -96.65 168.57 10.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.787 -177.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.461 HG23 ' HE1' ' A' ' 53' ' ' MET . 4.4 m -68.3 -39.27 82.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.064 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -61.86 -42.02 98.55 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.746 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' HG ' ' HB2' ' A' ' 48' ' ' ASP . 55.0 mt -59.08 -41.87 89.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.663 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.27 -42.41 90.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.461 ' HE1' HG23 ' A' ' 49' ' ' THR . 66.1 mtt -58.0 -44.36 87.18 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 120.891 0.377 . . . . 0.0 110.517 176.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.14 -42.02 84.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.409 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 51' ' ' LEU . 61.3 t -70.16 -41.43 78.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.444 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.3 mt -79.18 -24.23 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.349 -174.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.602 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 12.8 t70 -46.5 -57.6 8.35 Favored Pre-proline 0 N--CA 1.474 0.742 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 55.8 Cg_endo -70.45 -11.94 30.77 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.855 1.703 . . . . 0.0 112.521 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.422 HG21 ' HB1' ' A' ' 67' ' ' ALA . 29.4 mt -91.78 -36.92 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.65 -178.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.509 ' O ' ' HG3' ' A' ' 64' ' ' PRO . 50.6 m95 -53.68 -34.05 57.42 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.074 0.464 . . . . 0.0 111.543 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -82.74 -40.69 20.2 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.701 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -84.83 -54.18 4.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.554 -174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -135.07 77.31 56.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.455 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.509 ' HG3' ' O ' ' A' ' 60' ' ' TRP . 25.9 Cg_exo -60.84 -35.41 88.63 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.729 2.286 . . . . 0.0 111.868 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.56 -45.67 93.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.437 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.4 m -72.69 -33.9 66.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.81 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HB1' HG21 ' A' ' 59' ' ' ILE . . . -61.87 -48.48 80.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.33 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -68.13 -33.39 74.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.899 0.381 . . . . 0.0 111.023 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -72.12 -33.24 67.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.82 177.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.485 HD13 ' HB ' ' A' ' 30' ' ' THR . 64.8 tp -65.95 -34.95 79.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.077 176.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -58.25 -38.54 77.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.58 -32.07 80.02 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.522 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.502 ' HG3' ' CE3' ' A' ' 27' ' ' TRP . 6.3 mpt_? -66.35 -51.98 51.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.974 0.416 . . . . 0.0 110.031 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.0 mt -67.3 -39.72 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.478 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.01 -47.51 82.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.152 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.7 t -75.44 -32.47 60.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.966 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 73' ' ' ARG . 75.5 t -67.49 -44.53 86.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.669 0.271 . . . . 0.0 110.53 177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.518 HD11 ' HD2' ' A' ' 92' ' ' PRO . 99.0 mt -66.98 -33.8 76.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 0.0 110.336 176.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.66 -47.06 87.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.419 0.628 . . . . 0.0 109.804 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -63.17 -45.8 90.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.868 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -61.25 -35.19 76.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.671 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 89.7 m -62.56 -43.45 98.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.051 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.6 t -72.72 -40.51 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.723 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.597 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -72.32 -10.34 59.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.92 177.732 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.15 13.95 63.16 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.798 172.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 63.6 m-85 -68.81 -32.24 71.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.292 0.568 . . . . 0.0 109.945 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.526 ' O ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -150.09 152.72 35.22 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 170.637 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.07 176.13 8.97 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.121 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.98 99.41 0.06 OUTLIER Glycine 0 C--N 1.331 0.269 0 CA-C-N 115.954 -0.566 . . . . 0.0 114.457 -171.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' OD2' ' HD3' ' A' ' 92' ' ' PRO . 28.3 t70 -169.69 137.73 1.77 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.098 0.559 . . . . 0.0 109.778 174.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -135.42 87.77 26.53 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.303 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.518 ' HD2' HD11 ' A' ' 78' ' ' LEU . 43.6 Cg_endo -67.94 -5.43 14.55 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.979 2.453 . . . . 0.0 113.159 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.13 -46.69 10.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.549 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 94' ' ' ARG . 26.5 ttp180 -72.1 132.09 43.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.556 0.693 . . . . 0.0 111.569 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.454 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 1.4 m-90 -120.34 148.94 43.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.063 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -102.83 -29.3 11.54 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -157.92 56.29 0.37 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.733 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 86.1 t80 -65.25 -41.56 94.17 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 173.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt -102.61 -66.35 0.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.047 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -165.62 148.11 7.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.115 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -83.2 94.68 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 109.615 172.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -127.26 127.88 45.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.118 -174.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -127.89 118.33 23.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.144 0.497 . . . . 0.0 111.604 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.34 126.08 18.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.526 173.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -82.24 -24.64 34.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.735 175.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 tpp . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.865 0.364 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 60.1 p -95.5 166.4 11.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.17 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.2 -40.34 89.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.294 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 m -63.51 -43.48 97.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 43.0 mt-10 -65.42 -48.13 73.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.845 0.355 . . . . 0.0 111.064 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.3 t -62.17 -43.44 98.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.213 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.15 89.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.622 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.79 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.062 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 87.8 mt -64.28 -41.63 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.484 177.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -62.59 -40.17 96.06 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.321 0.581 . . . . 0.0 109.938 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.778 HD12 ' HG1' ' A' ' 28' ' ' THR . 96.7 mt -63.97 -49.11 83.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.949 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 89.8 mttt -61.34 -32.85 72.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.848 0.356 . . . . 0.0 111.263 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.95 -10.35 56.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.63 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -129.27 4.59 5.21 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 11.5 ptm180 -65.69 -20.44 66.29 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.029 0.442 . . . . 0.0 110.807 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -69.73 -36.04 75.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.534 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -83.1 -30.75 27.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.229 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -88.27 21.54 2.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.84 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HB2' ' HZ2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -102.3 130.74 49.09 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 174.012 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.405 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 26.5 t-20 -99.25 0.71 43.73 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 124.617 1.167 . . . . 0.0 111.573 13.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.564 ' HB ' ' HD2' ' A' ' 23' ' ' HIS . 75.7 p -56.82 162.15 2.52 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -83.18 10.91 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.958 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' HD2' ' HB ' ' A' ' 21' ' ' THR . 17.2 m-70 -58.67 -42.79 89.27 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 111.362 0.134 . . . . 0.0 111.362 -177.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.9 -46.53 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.925 0.393 . . . . 0.0 110.76 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.68 -47.94 70.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -63.25 -30.56 71.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.059 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.568 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 6.4 m95 -61.04 -47.1 87.98 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.228 172.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.778 ' HG1' HD12 ' A' ' 11' ' ' ILE . 5.6 m -67.77 -41.43 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.171 177.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -54.74 -50.29 68.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.901 -173.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.448 HG22 HD12 ' A' ' 70' ' ' LEU . 14.6 m -68.42 -43.16 77.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.551 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.49 -41.5 88.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.964 0.411 . . . . 0.0 110.525 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -58.69 -37.57 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.314 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.5 m -79.7 -55.45 5.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.85 -173.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.22 -49.81 9.69 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.3 m -84.97 -32.25 23.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.506 -171.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.455 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -44.45 -63.82 2.28 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 123.758 0.661 . . . . 0.0 114.644 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.97 -18.1 63.38 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.905 2.403 . . . . 0.0 113.845 -175.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 t -108.2 -77.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.678 -175.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.527 ' HA ' HD11 ' A' ' 42' ' ' LEU . 32.5 pt -94.92 3.52 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 111.512 -174.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -55.74 -63.99 4.79 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.968 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 10.4 Cg_exo -72.45 -5.78 17.8 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.92 2.413 . . . . 0.0 112.853 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 39' ' ' ILE . 73.0 mt -76.36 141.4 41.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.888 0.375 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.407 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 13.8 m -65.2 141.85 58.52 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.912 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.72 -24.47 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -83.86 -21.34 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.34 0.59 . . . . 0.0 110.291 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' A' ' 43' ' ' SER . 1.7 m-20 -88.86 -28.56 20.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.019 -175.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.525 ' HA ' HD13 ' A' ' 51' ' ' LEU . 61.4 t -65.73 116.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.805 0.336 . . . . 0.0 110.302 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.448 ' OD1' ' HG ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -113.33 -174.7 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.336 -179.482 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.486 HG21 ' HE2' ' A' ' 53' ' ' MET . 25.6 m -59.97 -42.35 93.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.707 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -69.0 -40.09 78.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.725 0.297 . . . . 0.0 110.454 -175.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 47' ' ' VAL . 77.2 mt -61.7 -38.81 89.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.762 177.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' A' ' 93' ' ' ALA . 81.0 mt -68.93 -36.36 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.424 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.486 ' HE2' HG21 ' A' ' 49' ' ' THR . 63.2 mtt -56.8 -45.13 82.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.762 176.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 40.4 mtpt -59.13 -36.53 75.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.383 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.63 -44.13 70.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.957 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.35 -30.15 57.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.535 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.7 t70 -48.3 -55.22 19.69 Favored Pre-proline 0 N--CA 1.472 0.673 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 60.6 Cg_endo -73.63 -14.14 24.67 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.968 1.779 . . . . 0.0 112.976 -179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.9 mt -80.41 -31.02 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 122.326 -0.234 . . . . 0.0 110.446 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -61.28 -24.41 66.38 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.094 0.473 . . . . 0.0 110.552 175.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 7.5 mm-40 -69.9 -46.94 64.33 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.741 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HG2' ' HG3' ' A' ' 63' ' ' LYS . 26.9 tt0 -87.82 -59.07 2.35 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.142 -173.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.511 ' HB2' ' HB ' ' A' ' 66' ' ' THR . 21.9 mtpp -137.83 86.93 17.46 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.99 -171.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.57 -50.03 15.46 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.038 2.492 . . . . 0.0 113.617 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 36.3 tt0 -66.41 -35.72 81.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.005 0.431 . . . . 0.0 110.44 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' A' ' 63' ' ' LYS . 80.2 m -69.98 -32.73 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.645 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.33 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.487 . . . . 0.0 109.922 173.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 m -68.98 -41.57 77.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.678 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 66' ' ' THR . 82.0 mtm180 -68.51 -34.71 76.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.357 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.503 ' O ' HG13 ' A' ' 74' ' ' ILE . 58.7 tp -66.45 -45.83 78.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -39.41 84.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.403 178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.67 -43.74 98.68 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.595 -0.729 . . . . 0.0 113.035 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.568 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 18.4 ptp180 -72.93 -34.23 66.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.148 0.474 . . . . 0.0 110.818 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 70' ' ' LEU . 77.9 mt -59.6 -39.79 80.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 110.605 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.98 -48.16 73.62 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.445 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.2 m -62.59 -36.34 82.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.683 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.7 t -71.19 -49.17 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.12 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 92' ' ' PRO . 88.9 mt -64.44 -42.42 95.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.707 -176.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -68.77 -29.22 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.173 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -69.51 -40.15 77.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.026 0.441 . . . . 0.0 110.169 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.71 76.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.174 176.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.622 HG22 ' HA2' ' A' ' 89' ' ' GLY . 29.7 m -63.42 -42.56 98.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.013 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 79' ' ' ASP . 66.9 t -62.25 -39.02 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.046 0.451 . . . . 0.0 110.255 177.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -76.86 -6.09 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.587 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.09 29.76 56.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.841 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -84.31 -26.86 28.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.358 . . . . 0.0 110.568 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -146.42 175.19 10.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.561 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -79.4 167.65 20.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.654 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.622 ' HA2' HG22 ' A' ' 82' ' ' THR . . . -72.74 169.99 51.77 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.91 -0.586 . . . . 0.0 113.766 -175.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 48.9 t0 65.58 124.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 122.33 1.062 . . . . 0.0 111.306 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.428 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 30.6 t-20 -84.01 139.42 39.82 Favored Pre-proline 0 C--N 1.316 -0.881 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.916 -167.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.428 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 57.6 Cg_endo -74.39 -21.38 17.42 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.661 2.241 . . . . 0.0 112.563 175.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' A' ' 52' ' ' ILE . . . -95.39 11.95 30.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.903 0.382 . . . . 0.0 110.621 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 95' ' ' TRP . 65.7 ttt180 -65.25 -73.88 0.12 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.143 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.413 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 1.6 m-90 72.11 132.62 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.872 0.844 . . . . 0.0 112.637 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 96' ' ' ARG . 45.4 mtp180 -98.83 -32.73 11.2 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.513 174.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.01 75.14 0.18 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.022 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -70.16 -59.39 2.92 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.5 mt -105.13 -31.87 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.488 0.661 . . . . 0.0 109.277 171.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 101' ' ' HIS . 17.0 tt0 -177.37 176.12 1.36 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.11 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.405 ' H ' ' HG2' ' A' ' 100' ' ' GLU . 6.6 p80 -89.32 60.29 5.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.478 0.656 . . . . 0.0 111.086 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -68.24 116.21 8.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.272 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -120.07 -140.54 0.34 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.732 -172.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -62.72 76.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 112.302 -177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 175.39 90.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.251 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.405 -0.807 . . . . 0.0 110.234 -178.306 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.446 0.165 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 53.0 p -103.09 165.59 10.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -64.47 -40.63 96.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.252 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -59.23 -47.39 85.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.72 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 47.4 mt-10 -61.57 -49.55 76.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.994 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.612 ' SG ' ' HB1' ' A' ' 81' ' ' ALA . 33.7 t -63.08 -47.71 81.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.986 -175.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.85 81.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.875 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.68 96.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 83.0 mt -63.04 -39.34 94.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.919 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -57.61 -49.76 75.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.331 0.586 . . . . 0.0 110.695 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.56 -46.74 79.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.912 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 58.2 mtpt -65.69 -34.01 77.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.54 -34.1 65.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 0.0 111.378 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -96.47 0.05 49.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.731 0.301 . . . . 0.0 110.628 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.562 ' HA ' ' HB2' ' A' ' 18' ' ' TRP . 13.3 ptm180 -66.2 -24.5 66.63 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 120.65 0.262 . . . . 0.0 110.783 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -57.28 -42.73 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.154 0.502 . . . . 0.0 110.421 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 m -86.98 -8.41 57.23 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.562 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 36.5 m0 -101.01 27.16 6.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.23 -178.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.592 ' HB2' ' HG1' ' A' ' 21' ' ' THR 0.312 19.2 mtmt 74.38 -152.41 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 117.23 -1.367 . . . . 0.0 109.905 176.256 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.469 ' C ' ' CB ' ' A' ' 19' ' ' LYS . 92.6 m-20 -51.47 94.81 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 121.307 3.817 . . . . 0.0 121.307 68.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.765 ' HB ' ' HD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -128.49 134.93 48.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.356 154.78 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.455 ' HE3' ' HB2' ' A' ' 22' ' ' LYS . 18.3 ptmt -74.4 -3.81 32.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -166.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.765 ' HD2' ' HB ' ' A' ' 21' ' ' THR . 5.2 p80 -57.96 -29.46 65.22 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.761 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.52 80.61 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.184 0.516 . . . . 0.0 110.48 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -67.18 -42.61 83.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.126 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.63 -38.22 77.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.584 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.476 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 16.2 m95 -58.45 -52.0 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.973 0.416 . . . . 0.0 110.514 174.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -64.99 -45.47 85.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.557 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -58.79 -46.36 87.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.243 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 p -70.78 -47.24 60.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.457 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.23 -41.31 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.151 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -37.44 76.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.243 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.6 m -81.88 -52.48 7.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.602 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -79.84 -49.7 11.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.6 m -94.01 -23.34 18.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -171.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.71 -64.73 3.49 Favored Glycine 0 CA--C 1.523 0.538 0 O-C-N 123.494 0.496 . . . . 0.0 113.843 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.16 -4.99 10.1 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.923 2.416 . . . . 0.0 113.764 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.71 -65.81 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.564 0.221 . . . . 0.0 111.544 -176.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 42' ' ' LEU . 29.9 pt -114.69 3.6 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -173.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.98 -63.99 4.76 Favored Glycine 0 CA--C 1.526 0.727 0 O-C-N 123.299 0.375 . . . . 0.0 113.898 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.48 3.95 5.92 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.656 2.237 . . . . 0.0 113.41 -178.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 39' ' ' ILE . 87.2 mt -82.13 163.69 21.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 46.6 t -70.27 150.8 46.0 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.075 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG12 ' HB3' ' A' ' 87' ' ' ARG . 11.8 p -66.55 -18.86 24.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.205 0.526 . . . . 0.0 110.584 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' HB3' ' HB2' ' A' ' 87' ' ' ARG . 3.3 pt20 -103.77 -9.35 19.13 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 122.06 -0.4 . . . . 0.0 111.548 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.538 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 5.1 m-20 -93.0 4.78 53.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 175.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.95 104.36 2.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 171.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 52' ' ' ILE . 55.7 m-20 -88.77 165.32 14.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.451 0.643 . . . . 0.0 111.533 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 53' ' ' MET . 23.0 m -66.97 -41.36 86.96 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.815 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 53' ' ' MET . 2.6 tmtm? -69.67 -32.69 71.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.428 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 43.6 mt -65.95 -38.63 89.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.301 . . . . 0.0 111.084 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 48' ' ' ASP . 43.4 mt -68.38 -34.38 65.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.921 0.391 . . . . 0.0 110.327 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.3 mtt -55.5 -41.86 73.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.723 175.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' A' ' 51' ' ' LEU . 26.6 mtpp -56.07 -38.15 70.28 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.122 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 59' ' ' ILE . 39.9 t -77.98 -48.22 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.86 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.4 mt -72.42 -37.0 68.73 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -170.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.55 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 16.9 t70 -51.43 -55.19 31.26 Favored Pre-proline 0 N--CA 1.472 0.627 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -173.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 37.1 Cg_endo -68.49 -23.26 37.61 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.173 1.915 . . . . 0.0 112.386 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 55' ' ' VAL . 57.0 mt -73.88 -25.86 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.598 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.514 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 85.1 m95 -60.33 -26.36 66.51 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.732 0.301 . . . . 0.0 111.4 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -81.68 -31.7 32.12 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.782 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 62' ' ' GLN . 15.8 mm-40 -90.63 -58.45 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.421 -176.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -140.4 85.15 13.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.8 -175.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.85 -37.33 94.33 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.33 2.02 . . . . 0.0 112.329 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.02 -46.23 88.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.405 0.621 . . . . 0.0 110.34 178.057 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.0 m -71.41 -34.44 70.35 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.064 -177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.76 96.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.97 0.414 . . . . 0.0 110.907 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.5 p -71.43 -34.84 70.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 48.3 mtp180 -71.97 -35.06 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.343 . . . . 0.0 111.155 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 74' ' ' ILE . 49.7 tp -61.63 -39.98 93.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.141 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -56.34 -46.35 79.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.644 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.02 -40.38 95.17 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.729 -0.668 . . . . 0.0 113.178 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -71.61 -33.92 69.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.127 0.464 . . . . 0.0 110.834 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 70' ' ' LEU . 79.9 mt -64.33 -44.03 97.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 174.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.15 -43.73 70.83 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -60.28 -40.96 92.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.339 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.1 -48.76 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.094 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.433 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 87.4 mt -60.41 -41.84 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.81 -43.6 95.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.834 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -59.4 -47.01 87.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.746 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.612 ' HB1' ' SG ' ' A' ' 6' ' ' CYS . . . -62.83 -35.97 81.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.252 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.2 m -62.72 -47.45 83.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.439 0.161 . . . . 0.0 110.695 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.64 -44.02 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.927 0.394 . . . . 0.0 110.708 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -68.72 -25.5 64.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.29 30.44 8.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.724 . . . . 0.0 113.036 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -100.6 1.61 40.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.942 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.518 ' HB3' HG12 ' A' ' 44' ' ' VAL . 8.9 ptm180 -163.73 174.41 11.68 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.45 -179.03 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.937 0.399 . . . . 0.0 111.339 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -94.27 25.39 22.61 Favored Glycine 0 C--N 1.33 0.21 0 N-CA-C 115.025 0.77 . . . . 0.0 115.025 -167.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -116.01 140.02 49.68 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 117.188 0.494 . . . . 0.0 110.494 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -119.45 90.22 42.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.623 0.249 . . . . 0.0 111.065 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.33 -10.63 11.25 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.671 2.914 . . . . 0.0 113.824 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.17 -9.24 58.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 110.639 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -95.2 131.4 41.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 172.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.753 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -123.25 128.76 50.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -167.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -115.61 -15.89 11.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.706 168.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.55 44.36 1.27 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.75 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.753 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 18.8 t80 -110.15 133.11 53.55 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.0 mt 49.01 51.67 15.75 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 123.697 0.623 . . . . 0.0 110.804 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.59 93.39 0.16 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.654 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -147.98 88.99 1.7 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.554 -173.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.07 97.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.842 -175.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -121.91 117.24 25.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.006 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -65.15 -61.39 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.058 -172.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -85.29 116.83 23.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.981 0.42 . . . . 0.0 111.047 -172.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 52.6 m80 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.992 179.205 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 tpp . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.893 0.378 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.9 p -95.52 164.14 12.92 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.17 -40.0 92.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.4 m -58.8 -46.91 86.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.634 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.8 mt-10 -62.33 -48.91 77.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -63.33 -46.79 85.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.41 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.86 98.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.731 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.83 94.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.01 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 72.1 mt -64.15 -41.74 97.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.713 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -57.85 -45.7 85.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.134 0.492 . . . . 0.0 110.211 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.737 HD13 ' HG1' ' A' ' 28' ' ' THR . 99.3 mt -69.83 -49.82 54.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.327 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.64 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 55.0 tttm -65.59 -34.89 79.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.58 -175.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.36 2.65 20.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.2 -0.312 . . . . 0.0 111.449 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -136.7 6.17 2.93 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 111.4 0.148 . . . . 0.0 111.4 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 13.9 ptm180 -64.29 -39.72 94.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 0.0 110.789 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 m -71.16 -21.09 62.22 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.193 0.52 . . . . 0.0 110.8 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -80.63 -40.19 26.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.242 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.447 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 54.9 m0 -76.8 -31.29 56.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.443 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.867 ' HB3' ' CB ' ' A' ' 20' ' ' ASN 0.276 73.0 mmtt 77.06 -160.38 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 115.752 -2.071 . . . . 0.0 108.244 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.867 ' CB ' ' HB3' ' A' ' 19' ' ' LYS . 11.1 t30 77.15 125.43 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.859 1 CA-C-N 126.344 4.156 . . . . 0.0 108.4 59.388 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.519 HG22 ' ND2' ' A' ' 20' ' ' ASN . 25.8 p 66.87 170.92 0.25 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.133 1.373 . . . . 0.0 111.624 -171.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' HZ3' ' CG ' ' A' ' 25' ' ' ASP . 25.2 mmmt -83.97 12.48 6.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.413 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -45.9 92.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.678 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -35.29 79.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.134 0.493 . . . . 0.0 110.477 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.473 ' CG ' ' HZ3' ' A' ' 22' ' ' LYS . 10.6 t70 -63.27 -46.87 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.893 177.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -57.38 -40.55 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.641 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.531 ' CE3' ' HG3' ' A' ' 73' ' ' ARG . 40.4 m95 -60.0 -51.25 70.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.778 0.323 . . . . 0.0 111.01 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.737 ' HG1' HD13 ' A' ' 11' ' ' ILE . 15.3 m -69.91 -46.68 64.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.615 -177.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.82 -49.83 76.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.022 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.52 HG22 HD13 ' A' ' 70' ' ' LEU . 13.3 m -65.77 -46.72 77.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.591 0.234 . . . . 0.0 111.298 -175.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.8 mt -64.41 -45.01 97.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.807 0.337 . . . . 0.0 110.837 -178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -58.8 -38.28 78.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.43 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.0 m -82.54 -53.5 5.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.002 -172.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -81.12 -49.17 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.498 ' SG ' HD12 ' A' ' 70' ' ' LEU . 62.9 m -81.73 -27.37 33.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -174.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.499 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -46.59 -64.1 2.78 Favored Glycine 0 CA--C 1.527 0.809 0 O-C-N 123.758 0.661 . . . . 0.0 114.432 -176.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -63.14 -9.41 17.11 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.895 2.397 . . . . 0.0 114.367 -174.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.4 t -115.59 -78.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.467 -177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.6 pt -93.57 -5.62 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.541 -173.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.85 -63.61 4.38 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 123.586 0.554 . . . . 0.0 113.623 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 4.4 Cg_exo -80.83 5.64 6.05 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.979 2.452 . . . . 0.0 113.012 -178.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.3 mt -87.57 156.75 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 m -61.13 135.91 57.91 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.637 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.31 -24.98 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.703 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -80.3 -34.44 36.85 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.26 -18.43 62.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.987 -175.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.498 ' HA ' HD12 ' A' ' 51' ' ' LEU . 60.8 t -62.21 108.5 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -122.76 -173.34 2.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.572 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.457 ' OG1' ' HB3' ' A' ' 92' ' ' PRO . 6.9 m -58.93 -42.18 89.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.748 -176.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.14 -45.39 94.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.138 0.494 . . . . 0.0 110.609 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 47' ' ' VAL . 85.7 mt -65.74 -39.79 91.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.077 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -69.48 -41.14 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.1 mtt -59.45 -41.33 89.4 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.458 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 39.9 mtpt -56.74 -37.92 71.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.312 . . . . 0.0 111.37 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.98 -49.2 40.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.98 -33.82 63.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -172.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.548 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 11.1 t70 -48.25 -56.21 15.14 Favored Pre-proline 0 N--CA 1.47 0.55 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 58.0 Cg_endo -72.83 -16.16 26.34 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 121.866 1.711 . . . . 0.0 113.056 -178.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mt -78.4 -29.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.219 -0.192 . . . . 0.0 110.802 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -57.44 -32.89 67.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.847 0.356 . . . . 0.0 111.699 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -77.9 -32.74 51.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.65 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -91.11 -56.68 3.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.602 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -141.25 80.32 16.82 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.256 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.62 -44.0 34.93 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.923 2.415 . . . . 0.0 113.03 -174.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -62.48 -40.08 95.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.162 0.505 . . . . 0.0 110.668 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -65.91 -36.25 82.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.89 98.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.891 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.407 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 11.1 t -69.2 -39.9 78.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.95 -35.66 79.09 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.52 HD13 HG22 ' A' ' 30' ' ' THR . 62.9 tp -63.24 -39.23 94.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.321 176.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HE ' ' HA ' ' A' ' 68' ' ' SER . 40.8 mtm105 -59.22 -41.57 88.95 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.166 176.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.39 -37.67 93.52 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.163 -0.542 . . . . 0.0 112.048 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.531 ' HG3' ' CE3' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -63.92 -50.24 69.49 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.602 0.239 . . . . 0.0 110.425 175.598 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 56.2 mt -66.29 -44.07 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.26 -47.95 74.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -66.08 -36.89 84.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.293 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 73' ' ' ARG . 89.4 t -70.62 -44.37 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.732 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.3 mt -64.33 -38.66 91.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.727 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.55 -46.99 87.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.044 0.449 . . . . 0.0 110.305 175.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.426 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 70.3 t90 -60.93 -47.15 87.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.167 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.68 -31.06 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.308 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.44 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 96.6 m -65.94 -49.26 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.614 176.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.9 t -66.99 -32.04 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 25.9 mmm180 -80.75 -11.54 59.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.44 35.53 32.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.208 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -96.24 -19.12 19.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.854 0.359 . . . . 0.0 110.619 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -153.63 176.37 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.59 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.6 169.31 17.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.277 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.44 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -86.39 16.44 44.49 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.91 -0.586 . . . . 0.0 114.344 -170.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.425 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 24.5 t70 -98.15 133.69 42.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -116.29 89.33 25.91 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.539 -175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.457 ' HB3' ' OG1' ' A' ' 49' ' ' THR . 16.2 Cg_exo -68.04 -3.89 11.48 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.359 2.706 . . . . 0.0 113.409 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.56 -14.02 55.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.243 0.544 . . . . 0.0 110.462 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -105.85 131.74 52.81 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.898 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.412 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 1.4 m-90 -117.24 148.12 41.92 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.11 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -104.62 -20.19 13.74 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -128.62 -88.13 0.56 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.912 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.412 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 31.5 t80 60.98 -73.76 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.741 0.816 . . . . 0.0 112.395 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.06 -35.33 79.61 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.11 -176.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 71.58 -66.3 0.31 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.832 0.707 . . . . 0.0 112.13 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -67.57 109.25 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.077 0.465 . . . . 0.0 110.567 -175.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -93.89 139.85 30.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.631 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -121.7 111.99 17.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.973 172.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -89.71 81.27 6.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -122.06 140.11 52.9 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.238 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.9 p80 . . . . . 0 C--O 1.247 0.947 0 O-C-N 124.162 0.914 . . . . 0.0 111.182 -171.638 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.0 tpp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p -95.62 170.12 9.55 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.49 -36.88 83.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.867 0.365 . . . . 0.0 110.064 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 t -63.57 -43.65 96.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.241 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 38.7 mt-10 -64.7 -49.47 70.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.078 0.466 . . . . 0.0 111.056 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 t -65.46 -39.94 92.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.938 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.41 85.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.523 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.32 75.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.995 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 92.7 mt -67.63 -41.2 84.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.38 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -56.83 -46.78 81.47 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.38 0.609 . . . . 0.0 109.737 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 97.0 mt -59.63 -48.57 86.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.08 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 60.6 mttm -60.57 -40.46 91.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.635 0.255 . . . . 0.0 111.658 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.68 -4.72 24.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.775 0.321 . . . . 0.0 111.735 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -128.71 9.97 5.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.83 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 18.6 mmm180 -59.67 -39.44 84.5 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.208 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -59.33 -34.96 72.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.078 0.466 . . . . 0.0 111.165 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 m -82.19 -15.96 51.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.713 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.0 m0 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.98 -174.578 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 21.0 mtpt . . . . . 0 N--CA 1.457 -0.112 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.493 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 69.0 m-70 -62.92 -42.23 99.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.22 84.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.23 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.61 -45.61 86.13 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.406 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -58.26 -42.16 85.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.462 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.493 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 23.6 m95 -60.29 -51.53 69.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.719 0.295 . . . . 0.0 110.394 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -61.14 -48.8 79.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.992 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.4 -46.82 84.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.992 -173.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m -60.93 -48.1 83.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.811 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.43 -44.6 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.791 -178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 4.1 ttpm? -59.62 -34.91 73.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.5 m -82.37 -53.03 6.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.821 -175.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -79.32 -49.24 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -95.37 -15.97 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.329 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 32' ' ' LYS . . . -54.64 -64.62 4.16 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.877 -0.601 . . . . 0.0 114.108 -175.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.0 -7.93 14.74 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.783 2.322 . . . . 0.0 113.473 -176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 t -107.57 -71.61 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 0.0 111.442 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.9 pt -107.23 -0.4 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.531 -174.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.52 -63.59 4.78 Favored Glycine 0 CA--C 1.522 0.488 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.321 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.87 5.17 5.86 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.662 2.241 . . . . 0.0 112.988 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 39' ' ' ILE . 85.9 mt -87.92 155.59 19.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.528 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 39.5 t -63.86 137.76 58.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.573 0.225 . . . . 0.0 110.448 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.18 -18.87 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.398 0.618 . . . . 0.0 110.13 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.544 ' HG3' ' HA ' ' A' ' 87' ' ' ARG . 27.7 tt0 -85.03 -32.05 23.11 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.185 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 4.1 m-20 -91.24 10.2 28.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.919 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 43' ' ' SER . 96.3 t -70.23 120.74 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.414 ' H ' HD12 ' A' ' 51' ' ' LEU . 26.8 t70 -115.18 163.59 15.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.99 0.424 . . . . 0.0 111.094 -175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -61.14 -37.83 84.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.567 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 7.8 ttmm -58.16 -45.37 87.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.2 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 55' ' ' VAL . 79.5 mt -63.77 -41.69 97.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.847 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 93' ' ' ALA . 60.8 mt -68.11 -43.12 85.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.844 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 72.8 mtm -64.89 -34.18 77.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.056 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 55.9 mtpt -60.83 -37.1 80.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.048 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 51' ' ' LEU . 40.2 t -77.25 -49.27 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.1 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.38 -36.0 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -171.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.658 ' HA ' ' HD1' ' A' ' 60' ' ' TRP . 7.7 t70 -56.93 -52.79 71.3 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -173.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 52.0 Cg_exo -52.66 -38.01 75.82 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.262 1.974 . . . . 0.0 112.663 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 55' ' ' VAL . 57.3 mt -67.61 -33.09 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.332 -175.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.658 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 91.5 m95 -57.37 -34.34 68.74 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 111.41 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -67.11 -44.8 79.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.542 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -91.79 -53.24 4.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.015 -175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -133.65 79.55 58.8 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.795 -173.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.21 -32.9 50.99 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.364 2.043 . . . . 0.0 111.744 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.52 -43.67 93.31 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.274 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.8 m -68.83 -37.65 79.32 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.731 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.48 97.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.604 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.0 m -63.85 -45.24 90.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.639 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -67.19 -40.32 86.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.891 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 74' ' ' ILE . 56.5 tp -67.82 -37.82 82.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.685 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.453 ' O ' ' HD2' ' A' ' 71' ' ' ARG . 2.6 tmm_? -59.22 -40.95 87.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.85 -38.9 96.8 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.289 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 77' ' ' VAL . 92.4 mtt180 -64.78 -43.72 92.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.583 0.23 . . . . 0.0 110.777 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 70' ' ' LEU . 68.8 mt -60.54 -41.55 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.601 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -47.79 84.11 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.476 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.8 m -62.81 -40.47 97.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.913 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 73' ' ' ARG . 94.1 t -69.62 -47.49 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.051 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.557 HD13 ' HD2' ' A' ' 92' ' ' PRO . 85.3 mt -67.05 -34.17 77.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.278 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 83' ' ' VAL . 10.1 t70 -62.27 -46.4 88.96 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.427 ' CZ2' ' HG3' ' A' ' 84' ' ' ARG . 90.7 t90 -61.44 -44.71 96.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.461 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -36.7 77.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.396 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.4 m -66.6 -43.11 85.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.74 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 79' ' ' ASP . 59.8 t -65.61 -42.83 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.073 0.463 . . . . 0.0 110.658 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HG3' ' CZ2' ' A' ' 80' ' ' TRP . 9.6 mmm180 -69.28 -25.58 64.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.701 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.24 56.51 1.57 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.136 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -123.08 8.46 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.544 ' HA ' ' HG3' ' A' ' 45' ' ' GLN . 8.2 ptm85 -167.92 -39.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 121.205 -0.198 . . . . 0.0 111.502 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.47 177.65 0.08 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.48 0.712 . . . . 0.0 112.397 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.19 -126.26 7.3 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.814 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -137.49 -176.03 4.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -101.08 143.13 26.0 Favored Pre-proline 0 N--CA 1.441 -0.917 0 CA-C-O 120.93 0.395 . . . . 0.0 111.886 -172.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.557 ' HD2' HD13 ' A' ' 78' ' ' LEU . 69.3 Cg_endo -78.37 -13.19 15.27 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.595 2.196 . . . . 0.0 111.739 175.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.509 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -98.76 6.83 46.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.557 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -66.88 -54.19 24.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.101 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 67.25 119.98 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.605 0.717 . . . . 0.0 112.271 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -88.98 9.03 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.742 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 150.68 84.81 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.074 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -91.24 157.06 17.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 123.096 0.558 . . . . 0.0 111.458 -175.15 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 ttm . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.127 0.489 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 47.9 p -83.84 171.28 13.25 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.048 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -67.09 -34.55 77.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -59.26 -47.22 86.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.185 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 38.5 mt-10 -63.85 -49.72 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.213 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.1 -49.35 72.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.249 -175.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 11' ' ' ILE . . . -57.71 -44.29 85.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.821 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.36 94.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.318 . . . . 0.0 110.689 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 82.0 mt -63.29 -43.08 98.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.654 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -60.71 -46.95 88.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.568 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.687 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 91.1 mt -58.41 -44.72 89.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.83 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 86.1 mttt -71.02 -37.86 72.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.636 0.255 . . . . 0.0 111.206 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.39 -40.45 64.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.594 -176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -103.85 12.93 33.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.742 0.306 . . . . 0.0 111.042 -173.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.687 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 16.3 ptm180 -67.29 -30.51 70.39 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.608 -177.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -74.82 -14.44 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.165 0.507 . . . . 0.0 110.626 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -83.2 -12.53 56.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.414 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.7 m0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.78 179.566 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.209 0.528 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -62.34 -31.82 72.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.706 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.9 76.21 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.89 0.376 . . . . 0.0 110.623 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.54 -45.52 65.36 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.202 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -58.42 -31.32 67.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.455 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.576 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 16.5 m95 -77.11 -52.71 8.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.871 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.5 m -65.7 -46.97 76.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.98 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -55.25 -49.33 72.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.705 -175.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 p -73.45 -41.28 63.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.584 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.95 -39.83 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.637 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.96 -37.41 76.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.97 0.414 . . . . 0.0 110.553 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.1 m -81.1 -52.02 7.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.033 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.53 -50.22 11.96 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.8 m -92.07 -24.24 19.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.09 -64.48 3.53 Favored Glycine 0 CA--C 1.525 0.709 0 O-C-N 123.648 0.592 . . . . 0.0 114.105 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.98 -16.06 40.51 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.567 2.178 . . . . 0.0 113.384 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG11 HG22 ' A' ' 55' ' ' VAL . 40.5 t -91.9 -68.05 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.409 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.509 ' HA ' HD12 ' A' ' 42' ' ' LEU . 24.1 pt -113.95 5.39 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.476 -175.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.4 -63.96 4.61 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.295 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.39 1.18 8.66 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.77 2.313 . . . . 0.0 113.031 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 39' ' ' ILE . 82.1 mt -83.69 146.27 28.31 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 20.7 t -65.01 146.21 55.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.871 0.367 . . . . 0.0 110.513 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -64.95 -21.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.307 0.575 . . . . 0.0 109.605 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.439 HE21 ' HA ' ' A' ' 87' ' ' ARG . 1.5 tm0? -72.58 -39.69 67.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.368 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 43' ' ' SER . 27.9 m-20 -73.75 -16.09 61.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -174.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.467 ' HB ' ' NH2' ' A' ' 87' ' ' ARG . 62.1 t -59.0 111.15 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.113 0.482 . . . . 0.0 110.892 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 52' ' ' ILE . 10.9 t70 -122.25 165.51 16.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.357 -176.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 53' ' ' MET . 1.2 m -53.89 -42.68 68.93 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.704 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.63 -44.93 96.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.152 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 55' ' ' VAL . 84.2 mt -67.91 -42.13 81.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.334 -176.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 48' ' ' ASP . 64.0 mt -59.64 -40.51 82.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.841 0.353 . . . . 0.0 110.589 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' A' ' 49' ' ' THR . 65.6 mtt -59.53 -40.17 86.31 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.477 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.987 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 8.9 mmpt? -70.14 -37.26 75.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.556 HG22 HG11 ' A' ' 38' ' ' VAL . 48.7 t -61.38 -44.66 98.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.171 0.51 . . . . 0.0 110.425 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.4 mt -79.1 -24.48 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.123 -175.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.562 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 5.3 t0 -48.61 -57.79 10.03 Favored Pre-proline 0 N--CA 1.47 0.564 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -173.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 69.7 Cg_endo -73.55 -14.7 24.82 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.012 1.808 . . . . 0.0 111.972 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mm -79.59 -35.01 16.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.359 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -59.66 -25.64 64.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 111.524 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.52 -30.84 33.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.515 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -100.61 -51.45 3.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.435 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.37 80.15 40.43 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.076 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.44 -51.64 7.01 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.822 2.348 . . . . 0.0 113.037 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.535 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 3.7 mp0 -62.27 -39.42 92.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 120.877 0.37 . . . . 0.0 110.503 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.3 m -66.67 -36.26 82.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.813 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.11 -41.7 88.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.122 0.487 . . . . 0.0 110.258 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 m -68.26 -43.17 78.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.541 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 44.0 mtp180 -66.75 -41.01 88.48 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 74' ' ' ILE . 68.0 tp -63.0 -43.7 98.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.065 177.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -59.16 -38.77 80.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.144 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.13 -39.67 97.46 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.036 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.576 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 66.3 mtm180 -71.36 -37.52 71.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.839 0.352 . . . . 0.0 110.263 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 70' ' ' LEU . 74.2 mt -60.62 -40.82 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.116 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.67 -44.29 81.25 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.831 176.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.21 -39.69 95.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.515 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 73' ' ' ARG . 61.0 t -67.72 -49.28 71.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.938 0.399 . . . . 0.0 110.759 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.55 -32.01 72.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.55 -47.56 85.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.246 0.546 . . . . 0.0 109.625 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -61.21 -43.91 98.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.294 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -60.39 -36.42 78.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.1 m -66.27 -44.21 84.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.61 -36.68 75.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.677 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.49 -24.95 63.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.705 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.89 26.31 13.05 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.49 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.425 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 15.3 m-85 -88.18 -6.28 57.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.272 0.558 . . . . 0.0 109.674 177.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.467 ' NH2' ' HB ' ' A' ' 47' ' ' VAL . 6.2 ptp180 -161.29 166.9 26.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.201 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.68 169.18 17.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.866 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.97 -123.56 7.88 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.707 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -125.93 170.5 11.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 58.7 t30 -101.36 91.95 2.39 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 0.0 111.193 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 37.9 Cg_endo -62.01 5.19 0.23 Allowed 'Trans proline' 0 N--CA 1.481 0.779 0 C-N-CA 124.338 3.359 . . . . 0.0 114.705 -171.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.54 -23.51 20.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -82.37 -48.23 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -174.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 67.36 144.29 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.568 0.699 . . . . 0.0 112.656 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -87.01 -30.58 21.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.661 0.743 . . . . 0.0 109.547 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.23 94.16 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.378 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.409 ' HD1' ' HG ' ' A' ' 99' ' ' LEU . 3.7 t80 -60.0 -63.2 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.316 . . . . 0.0 110.928 -174.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.409 ' HG ' ' HD1' ' A' ' 98' ' ' TYR . 91.1 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 121.117 0.484 . . . . 0.0 111.026 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.96 0.41 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 55.9 p -96.45 169.05 10.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.158 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.89 -43.03 99.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.491 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.1 m -60.92 -46.82 89.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.037 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.6 mt-10 -61.12 -47.06 88.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.129 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.684 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 11.9 t -63.98 -46.6 83.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.774 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.29 77.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.391 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -59.72 -41.92 91.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.255 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 93.0 mt -61.07 -44.77 96.87 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.977 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -57.94 -47.12 83.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.383 0.611 . . . . 0.0 110.044 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -59.96 -48.84 86.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.033 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 92.9 mttt -62.15 -39.15 91.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.316 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.91 -25.46 65.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.949 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -123.21 20.09 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.859 0.362 . . . . 0.0 111.048 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 12' ' ' LYS . 8.8 ptm180 -75.37 -31.2 60.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.162 -173.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m -70.7 -22.62 62.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.147 0.499 . . . . 0.0 110.91 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -80.06 -24.28 40.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.84 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.9 m0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.441 176.457 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 22' ' ' LYS . 29.1 mtpp . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.83 0.348 . . . . 0.0 111.835 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.44 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 85.0 m-70 -64.29 -39.03 93.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.023 175.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.9 82.44 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.968 0.414 . . . . 0.0 110.55 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 9.9 t70 -62.44 -51.88 65.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.689 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 14.6 mm-40 -60.41 -38.49 84.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.924 -177.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.44 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 11.5 m95 -58.14 -51.26 70.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.39 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -69.1 -45.9 69.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.882 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 25' ' ' ASP . 8.7 t-20 -57.51 -44.28 84.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.706 -172.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 m -70.04 -50.16 44.04 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.857 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.28 -40.58 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.008 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -58.81 -37.07 75.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.425 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -81.88 -54.38 5.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.044 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.01 -50.16 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.6 m -85.98 -28.79 24.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.549 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -45.5 -63.92 2.55 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.658 -0.701 . . . . 0.0 114.34 -177.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.86 -17.72 14.54 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.052 2.501 . . . . 0.0 114.388 -176.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.9 t -117.43 -76.91 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.819 -176.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.554 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.9 pt -93.0 -2.64 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -171.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.65 -63.24 5.5 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.244 -0.503 . . . . 0.0 113.214 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.577 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 4.7 Cg_exo -77.8 5.31 5.37 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.933 2.422 . . . . 0.0 112.832 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 39' ' ' ILE . 72.6 mt -83.86 145.14 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 8.9 m -59.26 139.95 56.47 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 122.769 0.428 . . . . 0.0 111.016 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.85 -15.4 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 121.698 0.761 . . . . 0.0 110.538 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -86.78 -21.79 26.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.475 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -93.88 -31.28 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.118 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.546 ' HA ' HD12 ' A' ' 51' ' ' LEU . 92.5 t -53.34 110.5 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.86 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.9 174.32 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.766 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.602 ' O ' ' HG3' ' A' ' 53' ' ' MET . 4.8 m -66.37 -37.08 84.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.381 173.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -54.54 -46.55 73.62 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.055 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 47' ' ' VAL . 76.2 mt -65.3 -40.4 93.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.785 -177.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.594 HG21 HH11 ' A' ' 71' ' ' ARG . 82.9 mt -69.51 -33.99 59.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.31 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.2 mtt -54.78 -43.76 73.12 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 110.754 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.75 -38.01 89.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.016 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.66 -38.66 76.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.838 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.497 HD11 ' HD3' ' A' ' 71' ' ' ARG . 74.9 mt -77.53 -23.17 50.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.179 -175.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.598 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 15.1 t70 -45.23 -57.28 7.6 Favored Pre-proline 0 N--CA 1.472 0.657 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -175.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 56.0 Cg_endo -71.04 -10.5 27.63 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.194 1.929 . . . . 0.0 112.704 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.446 HD12 HD23 ' A' ' 56' ' ' LEU . 48.1 mt -88.56 -34.92 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.742 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -59.19 -31.23 68.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -70.61 -31.85 68.99 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -93.52 -61.54 1.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.169 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -145.93 87.11 6.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.898 -169.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.26 -35.26 98.87 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.819 2.346 . . . . 0.0 112.322 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -66.08 -38.66 88.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.977 0.417 . . . . 0.0 110.715 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.4 m -66.6 -36.94 83.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.173 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.29 98.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.1 m -62.97 -41.17 99.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.765 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.31 -32.47 73.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 74' ' ' ILE . 48.4 tp -69.08 -44.56 72.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.733 ' CZ ' ' HA ' ' A' ' 93' ' ' ALA . 12.3 mmm180 -63.87 -36.31 83.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.454 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.08 -39.49 97.18 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.911 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -71.51 -37.86 71.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.659 0.266 . . . . 0.0 110.792 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 70' ' ' LEU . 77.5 mt -63.16 -38.52 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.376 175.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.11 -48.1 71.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.624 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.2 m -62.4 -45.05 94.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.278 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.24 -49.36 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.287 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.519 HD13 ' HD2' ' A' ' 92' ' ' PRO . 81.7 mt -66.83 -36.87 83.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.369 -176.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.04 -42.41 63.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.66 -46.06 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.078 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.684 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -60.27 -35.59 75.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.081 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.507 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 49.0 m -65.8 -46.17 79.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.279 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.03 -39.58 84.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.985 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -73.18 -25.83 60.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.508 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.07 32.72 8.19 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.376 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -93.82 2.35 56.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.209 0.528 . . . . 0.0 110.156 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -167.46 -174.55 2.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.135 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -95.26 173.19 7.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.542 0.21 . . . . 0.0 110.622 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.507 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -83.29 110.76 3.31 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.942 -0.646 . . . . 0.0 113.859 -171.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -177.17 149.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.872 0.469 . . . . 0.0 110.012 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -121.7 88.09 46.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.519 ' HD2' HD13 ' A' ' 78' ' ' LEU . 16.2 Cg_exo -69.05 6.93 0.9 Allowed 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 123.544 2.83 . . . . 0.0 113.106 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.733 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -92.27 0.56 57.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -81.82 160.66 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.389 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.589 ' HZ2' ' HG2' ' A' ' 53' ' ' MET . 0.0 OUTLIER -159.71 118.77 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.723 0.297 . . . . 0.0 111.153 177.144 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -111.68 -15.76 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.048 175.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.79 98.4 0.18 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.789 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -146.94 -42.84 0.18 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.117 0.484 . . . . 0.0 110.116 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.691 -177.865 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 tpp . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.3 p -89.34 167.92 12.66 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.468 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -64.94 -42.7 94.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.197 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.1 m -62.52 -46.19 89.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.3 mt-10 -62.59 -48.05 81.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.07 -43.89 97.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.611 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.97 88.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.717 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.84 86.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.032 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 91.1 mt -62.34 -43.27 99.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.468 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.3 -44.19 92.53 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.03 0.443 . . . . 0.0 110.472 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.467 HD13 ' OG1' ' A' ' 28' ' ' THR . 92.5 mt -63.93 -46.18 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.62 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.3 mttt -70.91 -33.87 70.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.25 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.16 73.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.896 0.379 . . . . 0.0 110.469 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -105.73 14.75 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.856 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.62 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 19.7 ptt180 -64.95 -33.05 75.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 110.142 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -67.94 -34.32 76.37 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.174 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 m -73.27 -35.2 66.14 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.25 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.7 m0 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.95 -178.638 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.972 0.891 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -54.83 -34.01 62.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 113.888 -1.506 . . . . 0.0 110.826 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.14 -47.0 66.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.118 0.485 . . . . 0.0 111.126 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.59 -46.2 80.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.752 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.85 -39.53 81.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.361 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.592 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 2.0 m95 -60.6 -49.21 78.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.614 175.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.467 ' OG1' HD13 ' A' ' 11' ' ' ILE . 12.9 m -60.31 -49.39 77.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.595 -178.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.57 -48.91 79.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.483 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -63.09 -44.21 96.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.78 0.324 . . . . 0.0 111.305 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.47 -43.7 94.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.771 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -64.13 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -80.29 -53.73 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.903 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -80.55 -50.15 10.38 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.7 m -82.79 -25.35 32.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.498 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.491 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -47.76 -65.82 2.25 Favored Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.73 0.644 . . . . 0.0 114.292 -175.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.91 -25.01 74.18 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.731 2.288 . . . . 0.0 114.211 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 t -95.36 -51.22 11.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -172.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' A' ' 42' ' ' LEU . 28.1 pt -129.31 5.48 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.79 -64.84 3.84 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 116.388 -0.369 . . . . 0.0 113.752 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 3.4 Cg_exo -76.68 5.34 4.88 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.747 2.298 . . . . 0.0 112.585 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 39' ' ' ILE . 69.1 mt -86.47 159.63 19.25 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.591 ' OG ' ' HG2' ' A' ' 45' ' ' GLN . 15.2 t -64.87 142.06 58.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.533 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.556 HG22 ' HD2' ' A' ' 87' ' ' ARG . 14.5 p -64.53 -23.22 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.181 0.515 . . . . 0.0 110.585 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.591 ' HG2' ' OG ' ' A' ' 43' ' ' SER . 13.9 pt20 -87.96 -17.68 30.74 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 32.8 t70 -89.75 -17.11 28.86 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.873 0.368 . . . . 0.0 111.503 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.546 ' HA ' HD12 ' A' ' 51' ' ' LEU . 97.4 t -69.67 115.23 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.637 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -113.67 173.32 6.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.881 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -60.38 -37.42 80.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 33.0 ttmt -54.5 -45.34 73.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.746 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 47' ' ' VAL . 87.4 mt -67.67 -40.86 84.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.751 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.56 HG21 HH22 ' A' ' 71' ' ' ARG . 79.1 mt -64.19 -41.61 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.592 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.24 -34.6 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.654 0.264 . . . . 0.0 110.935 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 55.9 mtpt -65.42 -38.0 88.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.682 177.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 51' ' ' LEU . 44.6 t -70.07 -46.01 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.232 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.87 -31.91 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.605 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 15.1 t70 -49.93 -57.23 13.12 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -174.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 46.7 Cg_endo -70.0 -14.28 35.12 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.177 1.918 . . . . 0.0 113.116 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mt -77.11 -34.96 22.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.213 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -61.25 -28.52 69.23 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.122 0.487 . . . . 0.0 110.668 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.45 -39.11 91.64 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.018 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -101.7 -54.48 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.157 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -139.51 84.99 15.46 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.008 -171.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.37 -39.46 66.64 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.892 2.395 . . . . 0.0 113.225 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.65 -38.68 84.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.187 0.518 . . . . 0.0 110.057 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -67.76 -35.82 79.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.336 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.98 99.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.577 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 m -65.22 -42.4 93.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.617 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.47 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 95.9 mtt180 -65.39 -45.46 83.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.118 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.32 -34.85 78.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.365 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.686 ' NH2' ' HA ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -56.45 -49.31 74.97 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.523 -179.238 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.09 91.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.517 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.592 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 98.1 mtt180 -61.56 -46.54 89.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.2 mt -59.41 -40.85 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.612 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.67 -47.44 86.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.396 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.3 m -62.08 -41.87 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.198 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.31 -47.75 71.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.328 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.49 HD13 ' HG2' ' A' ' 92' ' ' PRO . 70.1 mt -64.24 -39.74 94.57 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.4 -46.29 90.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.243 0.544 . . . . 0.0 109.616 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -58.87 -51.12 71.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.749 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.27 73.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.769 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 26.9 m -67.59 -38.74 84.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.899 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.8 t -77.96 -33.62 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -71.46 -25.21 62.2 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.593 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.14 24.01 8.75 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.957 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -94.11 -12.06 29.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.134 0.492 . . . . 0.0 110.181 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.556 ' HD2' HG22 ' A' ' 44' ' ' VAL . 8.5 ptm180 -164.18 152.77 13.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.691 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -121.28 171.8 8.47 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.75 -146.88 16.5 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.614 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -105.03 -172.16 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.432 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 56.7 t-20 -103.16 94.7 5.84 Favored Pre-proline 0 C--N 1.322 -0.608 0 C-N-CA 123.067 0.547 . . . . 0.0 109.989 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.49 ' HG2' HD13 ' A' ' 78' ' ' LEU . 13.9 Cg_endo -54.08 -11.51 2.75 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.043 2.495 . . . . 0.0 113.543 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.686 ' HA ' ' NH2' ' A' ' 71' ' ' ARG . . . -86.83 -10.98 52.2 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.222 0.534 . . . . 0.0 110.909 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -81.16 133.51 35.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.52 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.527 ' C ' ' H ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -129.46 -41.39 1.37 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.864 -175.146 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 58.54 -29.95 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.215 1.006 . . . . 0.0 113.608 -170.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 95' ' ' TRP . . . -142.09 87.76 0.18 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.529 ' HD1' ' H ' ' A' ' 98' ' ' TYR . 3.1 p90 -78.16 -173.38 3.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.318 0.118 . . . . 0.0 111.318 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 N--CA 1.471 0.612 0 C-N-CA 123.605 0.762 . . . . 0.0 112.803 -172.437 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttm . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.823 0.344 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.8 p -89.19 169.59 11.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.061 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.415 ' HA ' HG23 ' A' ' 44' ' ' VAL . 81.8 t80 -62.77 -40.24 96.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.789 0.328 . . . . 0.0 110.684 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m -61.92 -45.18 94.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 54.0 mt-10 -62.94 -47.25 84.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.871 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 44.4 t -61.93 -49.02 77.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.968 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.89 -45.97 74.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.864 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.3 85.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.059 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 83.0 mt -64.54 -45.47 87.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.732 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -58.83 -45.02 90.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.176 0.512 . . . . 0.0 110.091 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.474 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 94.8 mt -59.86 -49.26 84.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.963 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 58.3 mtpt -64.2 -34.93 79.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.791 0.329 . . . . 0.0 111.359 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -18.06 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.798 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -127.19 16.53 7.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.586 0.231 . . . . 0.0 111.201 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.495 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 17.3 mmt180 -56.16 -45.9 79.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.389 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 m -76.03 -20.05 58.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.141 0.496 . . . . 0.0 111.51 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.1 m -76.89 -40.71 46.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.057 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.474 ' CH2' ' HA ' ' A' ' 11' ' ' ILE . 11.6 m0 . . . . . 0 C--O 1.238 0.487 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.529 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt . . . . . 0 CA--C 1.528 0.12 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -62.4 -43.4 98.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.732 0.301 . . . . 0.0 110.464 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.79 88.7 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.278 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.63 -47.4 81.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.5 -36.63 78.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.048 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -64.4 -48.59 74.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.032 0.444 . . . . 0.0 110.78 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 m -69.24 -48.49 61.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.403 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -55.85 -49.29 73.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.714 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -60.98 -48.29 82.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.785 0.326 . . . . 0.0 111.274 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.15 -42.67 85.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.667 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -58.63 -39.34 80.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.205 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.5 m -82.28 -53.67 5.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.413 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -80.31 -49.58 11.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -173.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.9 m -79.66 -20.42 46.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.082 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.84 -65.22 3.34 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.74 -0.664 . . . . 0.0 114.044 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.85 -15.43 50.29 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.562 2.175 . . . . 0.0 113.325 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 39' ' ' ILE . 22.9 t -95.2 -65.79 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.717 0.294 . . . . 0.0 111.379 -176.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.513 HG23 HG12 ' A' ' 38' ' ' VAL . 28.8 pt -123.77 5.13 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.691 -174.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.09 -63.84 4.8 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 116.187 -0.461 . . . . 0.0 114.01 -176.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.78 5.45 6.16 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.618 2.212 . . . . 0.0 113.214 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 39' ' ' ILE . 82.6 mt -84.59 158.47 20.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 44.1 t -55.82 135.3 51.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.065 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.869 HG22 HH21 ' A' ' 87' ' ' ARG . 3.2 p -73.5 -6.66 8.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.319 0.581 . . . . 0.0 109.913 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.674 ' HG3' ' HB2' ' A' ' 87' ' ' ARG . 9.9 tt0 -93.39 -26.17 17.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.149 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 22.9 m-20 -95.44 23.68 5.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.796 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.98 106.37 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 52' ' ' ILE . 46.8 m-20 -93.76 168.82 10.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.385 -177.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' HG3' ' A' ' 53' ' ' MET . 3.7 p -60.37 -45.19 94.42 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.025 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -55.94 -43.55 77.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.81 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.53 -42.47 95.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.187 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.529 ' HB ' ' HH2' ' A' ' 95' ' ' TRP . 62.2 mt -65.3 -37.35 79.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.51 ' HG2' ' HE1' ' A' ' 98' ' ' TYR . 67.7 mtt -59.72 -35.89 75.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.756 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.05 -37.46 78.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.174 177.685 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.81 -44.13 99.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.003 0.43 . . . . 0.0 110.458 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' A' ' 59' ' ' ILE . 93.5 mt -76.33 -24.18 54.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.69 -177.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.613 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.8 t70 -46.58 -59.73 4.69 Favored Pre-proline 0 N--CA 1.471 0.588 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.537 -174.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 80.5 Cg_endo -74.57 -11.11 22.29 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.086 1.858 . . . . 0.0 112.933 -175.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 56' ' ' LEU . 32.3 mt -76.75 -29.74 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.765 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -68.2 -14.97 63.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.065 0.46 . . . . 0.0 110.746 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -81.1 -27.44 35.59 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.66 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -104.35 -62.67 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.695 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -139.98 87.37 12.6 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 -173.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -50.86 -46.0 32.86 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.48 2.786 . . . . 0.0 113.779 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 48.2 mt-10 -65.45 -39.41 92.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.968 0.413 . . . . 0.0 110.865 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.2 m -67.93 -32.69 73.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.569 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.59 68.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.934 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.9 p -66.04 -34.87 79.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.444 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 68.7 mtp180 -73.59 -34.45 65.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.338 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.04 -38.72 89.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -60.02 -35.97 76.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.794 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.71 -37.16 93.09 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.977 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 77' ' ' VAL . 99.4 mtt180 -64.09 -49.07 73.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.0 mt -59.93 -44.85 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.112 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.9 -48.0 79.23 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.712 0.292 . . . . 0.0 110.432 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -63.93 -42.55 97.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.233 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 73' ' ' ARG . 95.6 t -66.27 -49.11 78.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.706 HD12 ' HB2' ' A' ' 93' ' ' ALA . 21.5 mt -67.94 -40.14 83.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.228 -177.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.46 -38.41 80.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.259 0.552 . . . . 0.0 110.151 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 76.5 t90 -58.44 -51.24 70.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.435 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.465 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -67.46 -33.12 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -65.76 -42.69 90.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.3 t -70.16 -36.02 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.609 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 22.9 mmm-85 -67.17 -24.95 65.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.811 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.28 39.76 7.2 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.209 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -95.2 3.33 54.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.0 110.619 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.869 HH21 HG22 ' A' ' 44' ' ' VAL . 11.8 ptp85 -162.72 -174.69 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 9.5 tp10 -69.68 164.86 22.51 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.385 0.428 . . . . 0.0 109.944 172.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.83 -178.65 6.59 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 114.112 0.405 . . . . 0.0 114.112 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.2 t0 66.78 164.53 0.2 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.16 0.984 . . . . 0.0 112.005 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.474 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 44.3 t30 -134.91 90.91 20.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.655 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 11.6 Cg_endo -54.74 -18.22 15.39 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.361 2.707 . . . . 0.0 113.625 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.706 ' HB2' HD12 ' A' ' 78' ' ' LEU . . . -71.41 -18.8 62.32 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.041 0.448 . . . . 0.0 110.842 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -91.53 130.77 37.3 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.428 0.632 . . . . 0.0 109.824 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.529 ' HH2' ' HB ' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -125.27 -42.1 2.01 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.807 -175.411 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 58.63 -60.61 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.979 0.8 . . . . 0.0 111.239 -165.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.77 51.98 1.05 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.494 -0.384 . . . . 0.0 112.305 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.51 ' HE1' ' HG2' ' A' ' 53' ' ' MET . 59.8 t80 -72.03 -54.8 8.78 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.16 175.376 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 tpp . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.748 0.308 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.4 p -93.66 169.24 10.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -67.14 -40.24 86.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -58.34 -47.54 83.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.393 . . . . 0.0 110.996 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.1 mt-10 -63.4 -49.25 74.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.961 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 9.7 t -64.09 -45.15 89.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.887 -175.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.02 92.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.538 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.21 95.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.763 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 95.1 mt -60.82 -43.46 98.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.82 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -59.5 -49.46 77.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.995 0.426 . . . . 0.0 110.761 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.7 mt -66.36 -48.4 81.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.436 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.0 mtpt -66.87 -33.84 76.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.548 -176.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.26 4.18 15.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 0.0 111.26 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -132.09 4.02 4.07 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.405 -0.185 . . . . 0.0 111.182 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 23.1 ptt180 -67.76 -27.57 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.474 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -70.98 -25.9 62.91 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.27 0.557 . . . . 0.0 110.387 176.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 m -84.27 -16.19 44.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.5 m0 . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.745 -179.049 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -54.31 -46.99 72.93 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.41 91.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.346 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.52 -44.11 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.54 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.86 -41.12 90.79 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.446 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -55.36 -48.72 73.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.006 0.432 . . . . 0.0 110.139 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -62.3 -50.83 70.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.113 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.44 -47.92 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.38 -173.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m -65.62 -50.22 65.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.787 0.327 . . . . 0.0 111.338 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.24 -42.86 88.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.116 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 12.5 tmtt? -58.96 -34.05 71.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.242 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.6 m -81.05 -52.39 7.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.879 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -78.8 -49.23 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -173.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.4 m -104.45 -10.33 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.703 -172.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.36 -65.53 3.34 Favored Glycine 0 CA--C 1.521 0.422 0 O-C-N 123.513 0.508 . . . . 0.0 113.597 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.31 -14.27 43.01 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.64 2.227 . . . . 0.0 113.001 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.622 HG11 HG22 ' A' ' 55' ' ' VAL . 33.0 t -91.8 -67.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.653 0.263 . . . . 0.0 111.268 -175.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.432 HG23 HG12 ' A' ' 38' ' ' VAL . 31.6 pt -114.45 3.12 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -173.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.55 -64.2 4.53 Favored Glycine 0 CA--C 1.524 0.602 0 CA-C-N 116.272 -0.422 . . . . 0.0 113.532 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.29 2.14 4.11 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.073 2.515 . . . . 0.0 113.243 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 39' ' ' ILE . 87.7 mt -86.17 161.16 18.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.8 m -66.94 131.99 47.02 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.516 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.647 HG22 ' HD2' ' A' ' 87' ' ' ARG . 14.4 p -64.73 -24.68 36.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.33 0.585 . . . . 0.0 111.092 -176.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.488 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 25.0 pt20 -78.19 -19.47 53.84 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.82 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.86 -5.71 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.157 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.32 111.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.056 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -126.79 168.66 14.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.174 -176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -34.17 64.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.868 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -58.37 -45.88 87.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.248 0.547 . . . . 0.0 110.927 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 55' ' ' VAL . 91.8 mt -71.46 -38.93 71.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.223 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.556 HG23 HH11 ' A' ' 71' ' ' ARG . 83.9 mt -63.75 -41.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.631 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.9 mtt -63.61 -43.94 95.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.804 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -38.3 83.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.813 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.622 HG22 HG11 ' A' ' 38' ' ' VAL . 57.8 t -67.44 -44.58 86.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.919 0.39 . . . . 0.0 110.881 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.864 HD11 ' HD2' ' A' ' 71' ' ' ARG . 72.2 mt -79.32 -23.84 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.489 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.618 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.8 t70 -42.09 -57.61 4.13 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -173.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 89.3 Cg_endo -76.18 -13.27 19.08 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.937 1.758 . . . . 0.0 113.074 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.9 mt -84.75 -36.01 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.856 -0.156 . . . . 0.0 111.226 -173.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.414 ' CZ2' HD13 ' A' ' 56' ' ' LEU . 78.1 m95 -57.54 -29.65 64.55 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.816 0.341 . . . . 0.0 111.068 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.55 -59.69 4.31 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.403 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -80.64 -55.49 4.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.607 -173.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.497 ' HE2' ' OG1' ' A' ' 66' ' ' THR . 50.7 mtpt -135.02 79.73 50.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.909 0.385 . . . . 0.0 110.76 -174.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.6 -47.15 7.79 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.82 2.347 . . . . 0.0 112.906 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -64.88 -32.05 73.57 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 120.809 0.338 . . . . 0.0 111.366 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.497 ' OG1' ' HE2' ' A' ' 63' ' ' LYS . 7.9 m -70.32 -32.74 70.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.928 0.394 . . . . 0.0 110.404 177.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.718 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -62.64 -39.79 94.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.181 175.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.0 m -63.53 -39.44 94.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.459 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.61 -40.02 90.33 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.822 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.7 tp -72.71 -37.09 67.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.86 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.864 ' HD2' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -67.48 -38.99 85.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.201 -175.195 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.65 -34.03 84.69 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.59 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.407 ' O ' HG23 ' A' ' 77' ' ' VAL . 98.6 mtt180 -66.19 -49.53 66.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.401 . . . . 0.0 110.222 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.847 HD12 HH21 ' A' ' 71' ' ' ARG . 28.8 mt -65.19 -36.64 78.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.124 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -52.45 -47.48 66.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.06 0.457 . . . . 0.0 110.419 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -64.27 -37.54 87.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.074 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 73' ' ' ARG . 58.6 t -65.84 -48.8 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.708 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.72 -36.87 84.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.093 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.36 -47.43 70.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.569 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -58.88 -45.19 90.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.774 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.431 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -61.14 -34.43 74.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.405 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 27.3 m -64.98 -42.85 94.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.512 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.02 -40.44 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.487 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -71.92 -25.7 62.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.923 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.89 4.46 54.38 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.845 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -71.66 -26.05 62.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.108 0.48 . . . . 0.0 110.383 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.647 ' HD2' HG22 ' A' ' 44' ' ' VAL . 7.2 ptm180 -147.82 150.78 34.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.01 160.71 33.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.975 0.417 . . . . 0.0 110.698 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.11 -120.78 3.0 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -175.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -138.68 -165.21 1.78 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.39 87.64 17.16 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-O 120.632 0.253 . . . . 0.0 110.402 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.34 -6.39 16.24 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.991 2.46 . . . . 0.0 113.088 -176.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.52 2.32 55.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.453 . . . . 0.0 110.592 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -87.93 -46.57 9.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.273 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 63.75 179.93 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.765 0.793 . . . . 0.0 112.608 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -125.57 27.51 6.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.017 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.07 -53.96 0.8 Allowed Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.652 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.545 ' CD2' ' HG ' ' A' ' 99' ' ' LEU . 60.5 t80 65.02 -79.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.562 0.745 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 98' ' ' TYR . 85.6 mt . . . . . 0 C--N 1.322 -0.629 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.535 ' O ' ' HA ' ' A' ' 43' ' ' SER . 47.7 tpp . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 68.6 p -87.54 162.17 17.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.54 -37.9 88.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 m -60.83 -46.06 92.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.582 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 29.1 mt-10 -62.44 -49.07 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.163 0.506 . . . . 0.0 111.243 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.406 ' HA ' HD12 ' A' ' 9' ' ' LEU . 7.2 t -64.56 -42.24 95.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.992 -176.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.77 99.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.668 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.41 81.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 95.3 mt -60.54 -49.39 77.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.654 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -57.67 -49.89 74.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.747 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.57 -49.32 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.458 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 37.2 ttpt -63.45 -34.7 78.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.707 0.289 . . . . 0.0 111.165 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.61 -14.87 62.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.444 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -116.57 -2.01 12.06 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 32.6 ptt180 -69.98 -27.84 65.04 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.155 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -67.81 -23.52 65.19 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.874 0.368 . . . . 0.0 111.219 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 t -81.6 -14.91 56.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.054 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.3 m0 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.876 -178.24 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 22' ' ' LYS . 25.6 mtpp . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -66.6 -52.53 44.27 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.95 77.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.399 0.618 . . . . 0.0 110.072 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.32 -51.12 65.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.364 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.61 -38.46 90.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.775 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -55.04 -47.96 74.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.212 0.53 . . . . 0.0 110.1 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m -67.59 -50.49 58.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.955 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -55.26 -46.72 76.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.592 0.357 . . . . 0.0 111.503 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.1 m -63.55 -52.05 62.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.354 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.02 -41.83 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.092 0.472 . . . . 0.0 110.635 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.16 -36.11 74.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.719 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.5 m -79.84 -52.49 7.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.955 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -78.75 -45.63 20.68 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.5 m -95.41 -13.04 24.99 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.68 -172.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.41 -63.31 5.19 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-N 115.886 -0.597 . . . . 0.0 113.705 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -57.75 -26.22 72.26 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.981 2.454 . . . . 0.0 113.744 -176.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.0 t -95.41 -72.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 42' ' ' LEU . 25.4 pt -105.53 6.04 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 111.579 0.215 . . . . 0.0 111.579 -172.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -57.05 -64.91 3.97 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 116.091 -0.504 . . . . 0.0 113.596 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.05 0.28 10.01 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.489 2.126 . . . . 0.0 112.992 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 39' ' ' ILE . 79.3 mt -84.14 159.85 20.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 45.9 t -65.82 141.34 58.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.812 0.339 . . . . 0.0 110.416 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.614 HG22 ' HD2' ' A' ' 87' ' ' ARG . 10.3 p -65.18 -19.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.273 0.558 . . . . 0.0 110.118 176.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -84.48 -28.56 26.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.98 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.538 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 13.9 t70 -77.97 -22.54 49.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.037 -176.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 43' ' ' SER . 61.5 t -58.08 104.7 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 121.145 0.497 . . . . 0.0 110.748 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -106.95 166.59 10.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.699 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 53' ' ' MET . 27.2 m -58.29 -36.9 74.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.227 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -62.06 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 0.0 110.099 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 55' ' ' VAL . 91.5 mt -67.87 -38.59 83.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.16 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.501 HG23 HH11 ' A' ' 71' ' ' ARG . 59.1 mt -57.86 -40.01 74.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.086 177.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.5 mtt -63.28 -43.62 97.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -60.38 -38.15 83.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.112 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 51' ' ' LEU . 53.7 t -67.74 -41.05 84.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.362 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.831 HD11 ' HD2' ' A' ' 71' ' ' ARG . 35.6 mt -74.97 -24.38 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.577 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.0 t70 -48.94 -55.12 22.02 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -174.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 71.1 Cg_endo -75.48 -20.69 15.7 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.004 1.803 . . . . 0.0 112.836 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.557 HG22 ' HB2' ' A' ' 67' ' ' ALA . 48.1 mt -78.03 -39.5 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.286 -174.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.419 ' NE1' ' HB3' ' A' ' 56' ' ' LEU . 81.5 m95 -60.48 -28.47 68.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.042 0.448 . . . . 0.0 111.239 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.27 -26.94 47.33 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.16 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -95.03 -61.89 1.41 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.578 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -131.75 85.58 51.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.729 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.06 -49.59 12.3 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.714 2.276 . . . . 0.0 113.206 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -63.76 -39.21 93.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.242 0.544 . . . . 0.0 110.099 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.8 m -71.09 -32.91 69.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.724 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.557 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -60.15 -43.01 96.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.42 . . . . 0.0 110.348 175.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.9 t -63.99 -47.37 80.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.13 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 77.7 mtt-85 -64.15 -44.74 91.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.39 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.53 -41.88 91.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.831 ' HD2' HD11 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -67.73 -40.14 84.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.398 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.65 -39.47 97.58 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.294 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 98.0 mtt180 -64.23 -40.35 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.987 0.423 . . . . 0.0 110.186 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.744 HD12 HH21 ' A' ' 71' ' ' ARG . 36.4 mt -67.73 -37.72 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.092 177.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -54.01 -44.6 71.07 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.7 t -61.41 -44.44 97.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.2 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 73' ' ' ARG . 92.4 t -61.62 -47.07 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 178.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.472 HD13 ' HD2' ' A' ' 92' ' ' PRO . 90.8 mt -62.98 -38.96 93.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.52 -48.56 79.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.192 0.52 . . . . 0.0 110.179 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -62.88 -44.9 94.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.605 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.14 88.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.668 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -69.02 -39.32 79.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.507 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.12 -42.19 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.49 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -67.79 -26.04 65.89 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 176.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.61 19.22 38.49 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.79 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -82.88 -17.05 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.513 0.673 . . . . 0.0 109.41 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.614 ' HD2' HG22 ' A' ' 44' ' ' VAL . 8.1 ptm180 -147.86 153.02 38.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.789 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -127.9 160.79 30.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.719 0.295 . . . . 0.0 110.642 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.36 -121.55 4.72 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.804 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.635 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 7.6 t70 -141.25 -164.08 1.69 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.403 ' H ' ' CG ' ' A' ' 90' ' ' ASP . 8.5 m-80 -106.37 88.06 3.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 123.002 0.521 . . . . 0.0 110.798 -177.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.635 ' HD3' ' O ' ' A' ' 90' ' ' ASP . 19.2 Cg_exo -65.81 -13.17 38.55 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.089 2.526 . . . . 0.0 113.149 -174.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.44 7.04 44.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.381 . . . . 0.0 110.923 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -100.61 -51.39 3.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.394 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.425 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 3.3 m-90 69.17 154.63 0.12 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 122.0 0.905 . . . . 0.0 112.92 176.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -105.38 -23.51 12.83 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.865 170.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -173.24 91.59 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.609 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 17.2 t80 -96.04 -70.03 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.727 0.298 . . . . 0.0 110.667 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.951 0.405 . . . . 0.0 110.648 -179.191 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 tpp . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 63.3 p -94.2 160.0 14.88 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.205 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -66.41 -41.04 89.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.686 0.279 . . . . 0.0 110.288 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -59.32 -41.77 89.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.673 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 33.8 mt-10 -69.35 -46.19 67.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.065 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 14.8 t -63.95 -47.64 79.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.97 -178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.2 85.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.469 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.84 97.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.667 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 94.9 mt -60.56 -42.34 96.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.764 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -59.99 -49.1 78.98 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.106 0.479 . . . . 0.0 110.537 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.426 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 89.9 mt -66.35 -48.2 81.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.335 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 62.0 mtpt -63.19 -34.6 77.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.475 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.41 -27.08 66.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.172 0.511 . . . . 0.0 110.837 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -100.02 2.21 43.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.486 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 10.0 mmm180 -61.34 -33.62 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.221 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 m -68.42 -32.58 72.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.826 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -80.56 -32.96 36.49 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.924 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m0 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.079 179.273 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt . . . . . 0 N--CA 1.458 -0.061 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.42 -26.23 67.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 168.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -36.0 66.14 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.129 0.49 . . . . 0.0 110.888 172.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.04 -44.17 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.118 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -58.67 -42.49 88.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.675 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -54.67 -51.45 65.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 175.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -63.14 -48.77 77.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.043 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -63.61 -44.81 92.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -175.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -62.76 -48.63 78.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.657 0.265 . . . . 0.0 111.338 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.56 -41.21 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.727 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 2.5 tmtp? -62.56 -33.52 75.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.993 0.425 . . . . 0.0 110.195 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.7 m -78.66 -52.4 8.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.806 0.336 . . . . 0.0 111.235 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -79.28 -49.39 12.54 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.5 m -96.57 -9.87 28.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.471 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -55.04 -70.34 0.99 Allowed Glycine 0 CA--C 1.52 0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 113.951 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.86 -12.74 36.6 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.724 2.283 . . . . 0.0 112.883 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 39' ' ' ILE . 38.5 t -89.55 -70.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.983 -176.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.522 HG23 HG12 ' A' ' 38' ' ' VAL . 29.4 pt -116.07 2.2 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.04 -64.25 4.53 Favored Glycine 0 CA--C 1.521 0.454 0 O-C-N 123.305 0.378 . . . . 0.0 113.459 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 5.9 Cg_exo -78.71 5.25 5.74 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.73 2.287 . . . . 0.0 112.931 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 39' ' ' ILE . 78.5 mt -87.64 154.59 20.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.7 OUTLIER -60.13 143.54 52.03 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 177.422 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.8 p -66.14 -22.17 29.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.167 0.508 . . . . 0.0 110.105 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -84.0 -19.72 34.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.071 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.75 -26.02 37.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.992 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.86 110.57 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.232 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -122.04 -175.19 3.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.586 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 m -62.26 -39.55 93.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.687 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -45.08 90.49 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.724 0.297 . . . . 0.0 110.37 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 55' ' ' VAL . 82.0 mt -63.36 -41.36 98.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.795 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.24 -40.94 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.555 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.1 mtt -60.94 -39.36 89.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.993 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 7.8 mmpt? -68.97 -37.64 78.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.333 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 51' ' ' LEU . 84.8 t -58.1 -40.99 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.956 0.408 . . . . 0.0 110.63 176.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.557 HD11 HH11 ' A' ' 71' ' ' ARG . 35.0 mt -79.47 -24.42 42.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.084 -177.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.655 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 9.4 t70 -45.16 -59.19 4.58 Favored Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -172.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 90.1 Cg_endo -75.41 -21.88 14.67 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.043 1.829 . . . . 0.0 113.068 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.22 -29.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.54 -171.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -63.12 -29.08 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.638 0.256 . . . . 0.0 111.561 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -80.6 -22.78 40.33 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.976 0.417 . . . . 0.0 111.402 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -100.14 -59.99 1.61 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.867 -178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -143.13 85.47 9.71 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.805 -174.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -61.04 -36.77 80.62 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.549 2.166 . . . . 0.0 112.172 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -64.08 -44.56 92.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.703 179.391 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 m -71.19 -32.32 68.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.764 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.25 -39.43 82.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.097 0.475 . . . . 0.0 110.332 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 m -68.32 -36.66 79.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.63 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 64.3 mtp180 -68.93 -45.5 70.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.774 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.97 -34.32 75.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.25 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.557 HH11 HD11 ' A' ' 56' ' ' LEU . 2.4 tpm_? -55.64 -48.66 74.6 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.421 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.67 74.56 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.683 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' O ' HG23 ' A' ' 77' ' ' VAL . 97.1 mtt180 -64.47 -45.27 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.611 0.243 . . . . 0.0 110.749 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.01 -38.85 82.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.66 0.267 . . . . 0.0 110.667 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -56.0 -45.54 79.0 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.9 m -60.55 -41.99 95.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.006 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 73' ' ' ARG . 61.3 t -68.87 -47.25 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.799 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.42 -38.8 92.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.423 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.76 -40.89 92.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.0 0.428 . . . . 0.0 110.104 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -60.4 -44.77 95.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.889 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.407 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -63.57 -30.75 71.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.938 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' HA2' ' A' ' 89' ' ' GLY . 57.9 m -69.27 -34.98 75.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.67 -41.87 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.132 0.491 . . . . 0.0 110.255 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -69.86 -23.48 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.369 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.61 31.43 13.17 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.831 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -88.58 -24.73 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.481 . . . . 0.0 110.216 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -140.96 174.22 10.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.309 172.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -72.42 172.78 9.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.741 0.305 . . . . 0.0 111.38 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.671 ' HA2' HG23 ' A' ' 82' ' ' THR . . . -73.84 22.17 1.2 Allowed Glycine 0 C--N 1.332 0.353 0 CA-C-N 115.822 -0.626 . . . . 0.0 113.844 -175.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -111.14 124.47 52.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.803 0.335 . . . . 0.0 110.218 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 57.1 t-20 -116.13 88.97 23.96 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.117 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.52 -8.75 15.83 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.049 2.499 . . . . 0.0 113.424 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.53 -10.23 56.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 91' ' ' ASN . 5.4 ppt_? -82.5 -29.55 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.149 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.526 ' NE1' ' HB3' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 66.31 153.73 0.08 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.911 0.757 . . . . 0.0 113.0 173.32 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -85.27 -32.14 22.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.764 171.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 145.6 64.88 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.707 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.526 ' HB3' ' NE1' ' A' ' 95' ' ' TRP . 13.6 t80 -125.46 148.16 48.94 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 123.853 0.861 . . . . 0.0 112.016 -174.454 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 tpp . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.5 p -96.48 163.34 13.08 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.056 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.59 -41.44 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.713 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.5 m -62.86 -43.42 98.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.032 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -64.66 -47.71 77.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.965 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.9 t -61.88 -46.16 90.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.537 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.83 84.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.881 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.95 93.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.82 -46.32 91.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.358 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -58.02 -48.43 80.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.449 HG23 ' HZ3' ' A' ' 18' ' ' TRP . 98.5 mt -62.0 -49.91 82.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.26 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -70.43 -34.07 72.05 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.39 0.9 27.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -135.59 10.4 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.2 -0.313 . . . . 0.0 110.948 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -69.85 -16.65 63.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.919 -176.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -34.78 72.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.662 176.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 t -76.58 -18.99 58.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.14 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.449 ' HZ3' HG23 ' A' ' 11' ' ' ILE . 12.2 m0 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.29 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 19.6 mmmt . . . . . 0 C--O 1.227 -0.08 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -59.41 -44.23 92.89 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.339 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.14 81.26 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.232 0.539 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.5 -45.49 62.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.148 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 13.3 mm-40 -62.97 -37.48 87.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.616 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -54.6 -51.37 65.53 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.2 m -60.84 -51.22 70.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.958 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -55.95 -46.02 78.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.814 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -64.17 -54.36 34.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.47 -40.23 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.706 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.53 -35.63 74.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.697 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -81.68 -53.07 6.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.162 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -80.29 -49.54 11.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -174.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -90.43 -19.12 24.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.568 0.223 . . . . 0.0 111.462 -173.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.91 -64.69 4.02 Favored Glycine 0 CA--C 1.523 0.58 0 CA-C-N 115.821 -0.627 . . . . 0.0 114.366 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -63.98 -19.86 67.1 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.538 2.159 . . . . 0.0 113.564 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.9 t -95.33 -72.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.519 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.7 pt -105.76 1.16 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.273 -173.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.86 -63.17 5.49 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.52 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -76.03 5.35 4.55 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.792 2.328 . . . . 0.0 113.254 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 39' ' ' ILE . 86.6 mt -89.05 153.58 20.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.55 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 15.7 m -62.3 141.75 58.11 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.128 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.82 -26.29 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 111.291 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -80.78 -21.45 40.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.009 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 0.7 OUTLIER -86.91 4.3 42.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.626 -177.436 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.5 105.01 4.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -101.05 170.23 8.41 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.543 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 53' ' ' MET . 0.0 OUTLIER -65.94 -35.5 80.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.8 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 9.1 tmtt? -61.24 -42.09 98.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.927 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.27 -38.44 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.832 HD13 HH12 ' A' ' 71' ' ' ARG . 91.5 mt -62.05 -38.66 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.784 177.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.7 mtt -60.42 -39.07 86.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.595 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -60.54 -37.73 82.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.5 t -72.9 -45.44 55.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.254 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.28 -35.59 63.76 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -172.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.58 ' HA ' ' HD1' ' A' ' 60' ' ' TRP . 18.8 t70 -48.4 -56.62 13.59 Favored Pre-proline 0 N--CA 1.473 0.723 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -173.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 28.3 Cg_endo -65.79 -21.2 58.4 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.238 1.959 . . . . 0.0 113.007 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.0 mt -79.24 -28.11 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.312 . . . . 0.0 110.696 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.58 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 87.4 m95 -59.74 -30.39 68.8 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.147 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.27 -20.11 60.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.961 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -110.29 -56.26 2.36 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.498 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -138.72 85.49 16.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.863 -174.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.69 -46.05 22.27 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.759 2.306 . . . . 0.0 112.546 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 57.4 mm-40 -61.91 -42.85 99.57 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 121.128 0.49 . . . . 0.0 110.703 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -71.15 -33.66 70.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.839 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.37 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 0.0 110.249 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -68.24 -37.75 81.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.798 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 70.1 mtp180 -74.24 -39.77 62.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.569 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.417 HD12 ' HD2' ' A' ' 73' ' ' ARG . 67.0 tp -64.16 -34.23 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.396 0.617 . . . . 0.0 109.841 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.832 HH12 HD13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -54.84 -38.92 68.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.976 175.291 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.69 -30.42 77.89 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.598 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' HD2' HD12 ' A' ' 70' ' ' LEU . 91.1 mtt180 -67.76 -34.51 76.96 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.65 -42.95 96.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.852 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -56.68 -44.65 81.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.414 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.1 m -58.95 -42.19 89.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.881 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.9 t -72.22 -48.67 47.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.452 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.496 ' HB2' HD21 ' A' ' 91' ' ' ASN . 60.8 mt -63.78 -44.65 92.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.01 -37.72 83.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.233 0.539 . . . . 0.0 110.206 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -65.43 -39.53 92.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.852 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -64.28 -34.05 77.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.096 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 88' ' ' GLU . 81.8 m -60.24 -44.83 94.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.401 175.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.25 -38.42 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -66.68 -23.27 66.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.369 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.66 22.82 17.44 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.458 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.411 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 21.9 m-85 -87.73 -21.8 24.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.353 0.597 . . . . 0.0 109.765 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 82' ' ' THR . 7.3 ptp180 -161.92 175.19 12.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.247 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.764 ' HA ' HG23 ' A' ' 82' ' ' THR . 12.1 pt-20 -164.81 -178.21 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.82 94.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 O-C-N 123.505 0.503 . . . . 0.0 112.951 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' H ' ' A' ' 91' ' ' ASN . 30.4 t70 56.52 -164.6 0.15 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 122.916 0.486 . . . . 0.0 110.104 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.716 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 56.3 t30 -158.61 140.48 9.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 121.804 -0.56 . . . . 0.0 109.567 177.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.716 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 39.7 Cg_endo -69.23 5.68 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.806 2.337 . . . . 0.0 112.944 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.687 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -89.89 -0.36 57.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.975 0.417 . . . . 0.0 110.567 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -83.53 149.16 26.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.179 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.44 106.12 5.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.876 175.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 96' ' ' ARG . 10.3 mtt180 -76.91 -21.51 54.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.064 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.5 -113.96 2.29 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -141.4 -48.07 0.39 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.699 0.285 . . . . 0.0 110.325 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.5 mt . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.056 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.4 ttm . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.117 0.484 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 40.9 p -82.94 176.29 9.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.606 172.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -63.75 -38.76 92.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -59.27 -45.95 89.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.763 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.5 mt-10 -62.56 -45.61 92.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.7 t -65.34 -47.73 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.672 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.3 83.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.034 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.84 99.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 88.5 mt -61.42 -42.15 98.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -56.9 -47.57 80.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.657 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.404 HG23 ' HZ3' ' A' ' 18' ' ' TRP . 90.5 mt -71.68 -50.68 37.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.523 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.6 mttt -71.86 -35.57 69.87 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -173.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.11 -10.24 59.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.883 0.373 . . . . 0.0 111.236 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.575 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 48.4 m80 -115.13 -3.19 12.59 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.463 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 11.3 ptm180 -58.74 -18.33 30.68 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -171.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -64.42 -53.8 42.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.007 0.432 . . . . 0.0 110.753 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -75.08 -23.09 57.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.222 1.01 . . . . 0.0 108.579 174.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.575 ' HB2' ' O ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.218 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 34.5 mtpt . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 1.3 p80 -67.54 -29.93 69.45 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.948 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.29 -38.11 78.17 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.216 0.532 . . . . 0.0 109.969 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.69 -46.23 90.59 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.133 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 16.3 mm-40 -58.43 -30.16 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.818 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.431 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 17.9 m95 -74.51 -51.15 15.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 m -66.33 -46.94 75.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.26 -176.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -66.52 -47.93 71.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.124 -171.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 p -62.34 -53.0 61.36 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.645 0.26 . . . . 0.0 111.474 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.71 -44.97 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -59.43 -34.81 72.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.017 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.8 m -81.69 -51.39 8.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.737 -175.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -77.85 -49.3 14.54 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.4 m -103.51 -19.26 14.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.54 -64.19 3.31 Favored Glycine 0 CA--C 1.519 0.326 0 O-C-N 123.81 0.694 . . . . 0.0 113.983 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.5 -24.07 51.15 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.718 2.278 . . . . 0.0 113.549 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.494 HG11 HG22 ' A' ' 55' ' ' VAL . 19.1 t -95.28 -73.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.1 pt -95.06 -3.03 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -173.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.492 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -55.5 -63.09 5.6 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.159 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.39 2.72 4.17 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.55 2.167 . . . . 0.0 113.169 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.612 HD13 HD13 ' A' ' 51' ' ' LEU . 78.6 mt -84.55 152.28 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 47' ' ' VAL . 39.2 t -68.69 147.5 51.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.54 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.51 -22.93 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 109.977 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -82.11 -24.68 35.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.436 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -86.76 -27.19 23.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.561 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 43' ' ' SER . 87.5 t -55.22 115.41 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.298 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -127.14 167.71 15.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.89 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 53' ' ' MET . 24.0 m -59.42 -36.43 75.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.515 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -61.83 -42.54 99.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 111.142 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.612 HD13 HD13 ' A' ' 42' ' ' LEU . 61.0 mt -66.9 -38.18 85.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.657 0.741 . . . . 0.0 109.732 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.601 HG23 ' NE ' ' A' ' 71' ' ' ARG . 18.9 mt -62.26 -35.32 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.54 178.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.8 mtt -66.65 -41.54 88.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.879 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -56.59 -38.88 72.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.424 -178.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.546 ' HB ' HH22 ' A' ' 71' ' ' ARG . 21.4 t -70.38 -38.93 75.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD22 ' HB1' ' A' ' 67' ' ' ALA . 51.1 mt -78.89 -23.11 45.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.946 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.598 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 9.0 t70 -45.54 -55.65 11.66 Favored Pre-proline 0 N--CA 1.47 0.562 0 O-C-N 123.55 0.531 . . . . 0.0 112.337 -176.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 72.8 Cg_endo -76.76 -13.51 17.83 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 121.946 1.764 . . . . 0.0 112.876 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.524 HD12 HD23 ' A' ' 56' ' ' LEU . 51.7 mt -82.78 -39.8 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 122.391 -0.193 . . . . 0.0 111.156 -177.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -57.92 -27.86 63.74 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.009 0.433 . . . . 0.0 111.114 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -69.26 -28.28 66.17 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.431 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -111.78 -52.99 2.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.274 -172.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -130.78 83.87 60.25 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.44 -53.19 4.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.059 2.506 . . . . 0.0 112.966 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.65 -40.18 91.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 110.742 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.2 m -67.85 -35.41 78.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.222 -175.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.588 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -58.05 -46.94 84.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.919 0.39 . . . . 0.0 110.926 178.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.6 t -71.26 -45.15 63.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.908 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -64.11 -32.8 74.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.831 0.348 . . . . 0.0 111.379 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 tp -67.56 -37.27 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.172 0.51 . . . . 0.0 110.179 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.601 ' NE ' HG23 ' A' ' 52' ' ' ILE . 19.6 mmt180 -67.65 -35.94 79.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.021 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.58 -30.67 72.59 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.272 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -71.23 -47.25 58.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.322 0.582 . . . . 0.0 109.904 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.83 -37.3 77.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.343 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.01 -48.05 64.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.501 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.67 -37.6 87.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.168 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.36 -49.08 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.566 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.39 -32.91 74.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.06 -47.67 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 109.845 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -60.59 -43.58 97.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.533 175.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.08 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.376 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.7 m -67.41 -44.61 78.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.81 -34.13 67.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 121.242 0.544 . . . . 0.0 110.429 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -72.54 -11.67 60.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.465 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.44 26.34 57.26 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.64 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -83.45 -32.64 25.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.185 0.517 . . . . 0.0 109.705 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -147.22 154.06 40.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.021 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -120.56 173.47 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 110.455 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.81 -162.31 24.11 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.234 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.531 ' OD1' ' HD3' ' A' ' 94' ' ' ARG . 5.7 t70 -87.79 170.93 10.78 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.468 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 45.8 t-20 -89.54 137.78 28.66 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 86.6 Cg_endo -86.24 -10.0 6.93 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.254 1.969 . . . . 0.0 113.678 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.04 3.0 56.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.531 ' HD3' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -102.53 150.36 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.966 0.412 . . . . 0.0 110.889 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.86 120.08 29.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.144 0.497 . . . . 0.0 112.088 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -104.33 103.33 13.05 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.15 -56.98 0.56 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -173.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.7 t80 61.68 -165.91 0.22 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.517 0.327 . . . . 0.0 110.269 173.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.115 0.483 . . . . 0.0 109.839 175.93 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.8 tpp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.621 0.248 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 74.6 p -97.0 164.26 12.6 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -63.33 -36.43 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -61.83 -47.06 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.632 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.582 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 45.7 mt-10 -63.33 -48.04 79.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 16.3 t -61.2 -44.96 96.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.935 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.17 89.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.931 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.21 82.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.987 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 86.5 mt -64.22 -43.11 95.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.475 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -56.9 -43.53 81.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.196 0.522 . . . . 0.0 110.222 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.471 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 90.5 mt -65.59 -50.05 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.08 178.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HA ' ' HB3' ' A' ' 15' ' ' ARG . 93.2 mttt -67.21 -33.36 75.21 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.47 -14.31 56.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.775 0.322 . . . . 0.0 111.52 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 76.3 m80 -122.12 2.22 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.983 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.594 ' HA ' ' HB2' ' A' ' 18' ' ' TRP . 2.9 ptm180 -58.77 -21.67 56.3 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -166.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -77.0 -42.75 37.45 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.768 -0.582 . . . . 0.0 110.957 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -73.88 -14.93 61.15 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.594 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 1.6 m0 . . . . . 0 N--CA 1.44 -0.94 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.824 -174.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -60.46 -46.05 91.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.711 0.291 . . . . 0.0 110.775 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.19 86.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.55 -42.15 83.1 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.224 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.05 -38.85 77.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.909 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.61 ' HA ' HH11 ' A' ' 73' ' ' ARG . 9.0 m95 -67.0 -51.21 57.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 175.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 m -65.86 -51.12 61.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.901 -174.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.82 -49.98 75.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.858 -169.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.3 m -61.9 -48.04 82.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.772 0.32 . . . . 0.0 111.308 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.9 mt -67.27 -42.3 87.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.673 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 75.6 tttt -62.68 -35.12 78.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.079 0.466 . . . . 0.0 110.899 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.7 m -81.74 -51.56 8.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.861 -174.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -79.68 -49.15 12.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.6 m -88.77 -28.66 20.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.675 -0.238 . . . . 0.0 111.399 -174.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.565 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -50.04 -64.34 3.61 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 115.976 -0.557 . . . . 0.0 114.084 -176.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.9 -26.58 49.32 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.831 2.354 . . . . 0.0 113.526 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.432 HG11 HG22 ' A' ' 55' ' ' VAL . 24.2 t -92.99 -73.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.49 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.4 pt -101.59 0.76 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -173.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -56.43 -63.92 4.87 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-O 119.75 -0.472 . . . . 0.0 113.244 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 3.1 Cg_exo -76.42 -0.92 10.92 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.992 2.461 . . . . 0.0 112.515 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 39' ' ' ILE . 77.9 mt -81.47 159.06 24.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 t -67.16 147.52 52.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.797 0.332 . . . . 0.0 110.389 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.426 HG13 ' HB3' ' A' ' 87' ' ' ARG . 15.0 p -64.69 -17.79 22.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' CD ' ' HA ' ' A' ' 87' ' ' ARG . 22.6 mm-40 -74.01 -34.64 64.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.49 174.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -84.67 -5.99 59.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.94 109.88 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -129.13 165.26 21.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.445 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 m -58.62 -40.52 83.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.725 -175.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -58.56 -45.26 89.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.015 0.436 . . . . 0.0 109.921 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.0 mt -66.37 -43.61 85.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.829 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.27 -41.06 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 64.3 mtt -63.13 -36.48 83.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.799 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -68.95 -37.73 79.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.92 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 51' ' ' LEU . 51.0 t -68.15 -48.41 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 59' ' ' ILE . 95.9 mt -73.44 -24.94 60.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.291 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.566 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 4.3 t70 -49.12 -55.18 22.4 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 59.5 Cg_endo -74.36 -17.1 21.59 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.947 1.765 . . . . 0.0 112.589 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' LEU . 63.2 mt -75.19 -37.0 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.988 -177.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -58.8 -29.4 66.81 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.001 0.429 . . . . 0.0 111.494 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -73.33 -28.86 62.31 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.667 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -105.88 -49.55 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -135.69 79.07 47.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.152 -173.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.28 -40.96 17.42 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.494 2.129 . . . . 0.0 112.182 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -63.79 -40.71 97.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.134 0.492 . . . . 0.0 110.643 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.7 m -71.7 -32.55 67.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.795 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.8 93.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.725 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -71.17 -34.56 71.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -68.2 -32.84 73.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.27 0.557 . . . . 0.0 110.572 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 74' ' ' ILE . 51.4 tp -70.12 -43.1 71.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.219 177.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -61.13 -41.23 96.33 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.505 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.75 -38.43 95.18 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.133 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.61 HH11 ' HA ' ' A' ' 27' ' ' TRP . 75.9 mtm180 -70.86 -42.69 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.991 -0.123 . . . . 0.0 110.852 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 70' ' ' LEU . 75.5 mt -61.17 -46.9 95.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.576 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -55.07 -47.68 74.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.772 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.8 m -60.39 -44.04 96.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.179 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -67.12 -46.84 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.82 -43.58 98.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.543 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.99 -41.29 86.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.399 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -59.67 -44.06 93.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.165 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -64.32 -30.85 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.891 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.616 HG23 ' HA2' ' A' ' 89' ' ' GLY . 36.0 m -64.45 -44.75 90.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.354 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.1 -45.07 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.05 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.81 -19.39 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.104 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.01 31.76 16.51 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.711 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 38.1 m-85 -91.64 -28.73 17.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.474 ' HA ' ' CD ' ' A' ' 45' ' ' GLN . 4.9 ptm85 -135.97 171.71 14.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.44 173.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.37 175.46 6.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.799 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.616 ' HA2' HG23 ' A' ' 82' ' ' THR . . . -77.72 27.73 1.89 Allowed Glycine 0 CA--C 1.517 0.168 0 N-CA-C 115.488 0.955 . . . . 0.0 115.488 -166.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -118.88 143.76 46.79 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 117.398 0.599 . . . . 0.0 111.305 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -123.58 87.88 52.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.685 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.22 5.31 3.2 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.002 2.468 . . . . 0.0 113.345 -176.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.13 -22.55 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.012 0.434 . . . . 0.0 110.813 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -87.41 128.63 35.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.541 0.686 . . . . 0.0 110.458 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.584 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -115.14 122.69 46.85 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.24 -176.6 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -72.45 -25.25 61.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.86 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.17 88.96 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.662 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.584 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 52.2 t80 -106.77 -46.42 3.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 171.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.888 177.703 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -91.51 165.28 13.44 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.113 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -62.63 -43.21 99.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.872 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.6 m -64.82 -43.3 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.141 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.1 mt-10 -67.42 -43.08 82.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.132 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.43 ' HA ' HD12 ' A' ' 9' ' ' LEU . 13.6 t -62.03 -43.63 98.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.393 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.93 89.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.361 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.94 86.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.949 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.2 mt -60.42 -45.78 92.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.385 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.61 -49.37 77.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.937 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.61 -47.13 94.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.128 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.696 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 95.5 mttt -63.67 -33.08 74.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.82 -14.54 63.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.625 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -122.64 9.27 9.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.696 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 20.4 ptt180 -68.05 -26.38 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 110.59 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -72.02 -26.56 62.26 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.324 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -32.24 24.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.356 0.598 . . . . 0.0 110.097 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.2 m0 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.733 -176.165 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HE3' ' HB3' ' A' ' 22' ' ' LYS . 12.2 mtpp . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.53 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 2.4 p-80 -61.95 -27.83 69.12 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' TRP . . . -56.71 -42.73 79.68 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.218 0.533 . . . . 0.0 110.826 174.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.2 -42.81 88.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.083 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -60.6 -33.61 72.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.425 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.53 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 7.9 m95 -54.59 -51.4 65.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.676 0.275 . . . . 0.0 110.266 174.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 m -69.46 -43.24 73.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.278 0.561 . . . . 0.0 110.537 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -58.45 -48.96 79.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.517 -174.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m -67.22 -45.87 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.319 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.9 mt -62.74 -41.92 94.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.775 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.36 -31.34 71.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.943 0.401 . . . . 0.0 110.809 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 m -77.6 -53.15 7.93 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -80.34 -50.15 10.55 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.6 m -93.04 -26.21 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.389 -172.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.01 -65.02 2.43 Favored Glycine 0 CA--C 1.523 0.543 0 O-C-N 123.755 0.659 . . . . 0.0 114.566 -175.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.95 -9.34 24.58 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.693 2.262 . . . . 0.0 113.372 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.45 HG12 HG23 ' A' ' 39' ' ' ILE . 27.3 t -106.23 -73.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.646 0.26 . . . . 0.0 111.431 -176.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 42' ' ' LEU . 36.9 pt -108.88 6.36 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.566 -173.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.91 -64.41 4.32 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 116.124 -0.489 . . . . 0.0 113.546 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -75.3 5.06 4.36 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.77 2.314 . . . . 0.0 113.276 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.4 mt -80.33 146.14 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.3 m -59.84 138.76 57.71 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 120.762 0.315 . . . . 0.0 110.644 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.669 HG22 HH21 ' A' ' 87' ' ' ARG . 6.0 p -70.31 -12.43 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 121.271 0.557 . . . . 0.0 111.04 -174.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -87.32 -26.83 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.494 0.664 . . . . 0.0 109.601 173.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.71 -15.42 32.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.673 -174.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -57.92 107.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.401 ' H ' HD12 ' A' ' 51' ' ' LEU . 21.5 t70 -108.92 163.95 12.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.738 -175.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.3 m -65.15 -33.82 76.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.155 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 8.1 tmtt? -66.78 -38.54 86.75 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 48' ' ' ASP . 79.3 mt -66.81 -38.28 86.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.311 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.5 mt -67.08 -38.75 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.229 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.448 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 13.2 mmt -57.33 -36.68 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 50.6 mtpt -59.87 -42.08 92.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.383 . . . . 0.0 110.742 177.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.3 t -74.04 -47.09 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.097 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.4 mt -78.97 -31.09 44.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -171.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.609 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 24.9 t0 -47.13 -56.22 12.93 Favored Pre-proline 0 N--CA 1.476 0.828 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -174.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 36.8 Cg_endo -68.67 -33.43 21.58 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.585 1.523 . . . . 0.0 112.138 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.582 HG22 ' HB2' ' A' ' 67' ' ' ALA . 32.9 mm -68.8 -31.07 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.088 -176.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -54.81 -37.41 66.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.964 0.411 . . . . 0.0 110.89 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.23 -42.68 13.59 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.346 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -66.7 -59.25 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 111.364 -177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -138.65 82.63 21.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.942 -173.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.11 -46.37 31.44 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.22 2.613 . . . . 0.0 113.291 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.19 -33.6 73.61 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.09 0.471 . . . . 0.0 110.743 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 m -71.86 -36.84 70.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.8 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.582 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -61.08 -45.18 95.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.025 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 p -70.88 -39.48 72.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.302 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.72 -37.62 85.05 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.036 0.446 . . . . 0.0 111.11 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 54.4 tp -67.87 -41.99 81.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.706 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.495 ' NH1' ' HB2' ' A' ' 95' ' ' TRP . 5.1 ttp180 -62.93 -36.74 84.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.284 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.02 99.92 Favored Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.887 -178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 20.0 ptp180 -71.83 -34.3 69.18 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.469 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.21 -39.84 83.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.88 -48.42 70.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.722 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.8 t -66.33 -42.66 87.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.899 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 73' ' ' ARG . 91.3 t -65.04 -46.42 91.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.944 0.402 . . . . 0.0 110.678 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 92' ' ' PRO . 74.4 mt -61.62 -46.94 87.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.36 -40.13 89.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.912 0.387 . . . . 0.0 110.966 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.21 -45.57 94.03 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.681 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.98 -31.66 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.6 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.2 m -64.3 -48.69 74.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.777 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.2 -36.28 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.694 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -66.51 -15.39 63.35 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.104 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.33 33.96 11.14 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.142 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -90.82 -4.76 56.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.023 0.44 . . . . 0.0 110.614 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.669 HH21 HG22 ' A' ' 44' ' ' VAL . 10.2 ptp85 -166.03 171.34 12.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.126 174.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -116.93 164.36 14.8 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.37 -138.26 15.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.581 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -117.84 178.59 4.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -83.09 144.13 46.8 Favored Pre-proline 0 N--CA 1.445 -0.721 0 CA-C-O 120.861 0.362 . . . . 0.0 110.388 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.493 ' HD2' HD13 ' A' ' 78' ' ' LEU . 60.2 Cg_endo -73.65 0.26 8.41 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.78 2.32 . . . . 0.0 113.235 -177.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.4 18.03 21.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.0 115.22 10.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.36 0.6 . . . . 0.0 111.873 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.495 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -143.78 104.0 4.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.859 178.626 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -75.36 -17.3 60.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.006 0.431 . . . . 0.0 110.571 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.81 68.72 0.27 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.141 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -70.58 -65.28 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.473 0.177 . . . . 0.0 110.624 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 120.942 0.401 . . . . 0.0 110.559 175.146 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 43' ' ' SER . 42.9 tpp . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 67.5 p -95.64 162.57 13.56 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -58.96 -40.06 83.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.718 0.294 . . . . 0.0 110.634 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 m -60.97 -46.98 88.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.5 mt-10 -66.94 -43.97 81.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t -62.79 -44.76 95.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.717 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.28 -40.95 87.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.675 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.5 -33.59 76.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.879 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.0 mt -68.07 -41.78 81.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.364 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -57.13 -48.25 79.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.486 . . . . 0.0 110.287 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.84 -49.46 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.062 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.682 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.6 mttp -65.25 -34.45 78.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.509 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.78 -18.98 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.859 0.361 . . . . 0.0 111.362 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -112.39 -2.99 14.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.554 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.682 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 42.5 ptt85 -56.92 -29.13 62.8 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -171.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 m -70.35 -42.51 71.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.78 0.324 . . . . 0.0 110.979 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -74.78 -16.17 60.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.785 0.802 . . . . 0.0 108.973 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.622 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 4.0 m0 . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 114.457 -1.247 . . . . 0.0 113.428 -172.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.4 mmmt . . . . . 0 N--CA 1.464 0.228 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -60.27 -53.16 60.96 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.532 0.206 . . . . 0.0 111.331 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -34.92 75.9 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.088 0.47 . . . . 0.0 110.44 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.64 -51.31 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.871 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.8 mm-40 -60.2 -41.8 93.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.065 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -57.95 -51.13 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 111.073 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 m -68.72 -41.01 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.251 0.548 . . . . 0.0 110.283 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -64.28 -48.96 73.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.937 -172.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 p -66.93 -50.49 62.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.732 0.301 . . . . 0.0 111.705 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.79 -41.02 90.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 3.5 tmmm? -62.56 -35.47 79.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.159 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.9 m -81.78 -51.97 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.887 -175.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -78.61 -49.8 12.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 39.1 m -88.48 -24.08 23.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.535 0.207 . . . . 0.0 111.469 -173.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.517 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -50.04 -64.72 3.34 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.77 -0.65 . . . . 0.0 114.431 -175.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.93 -24.14 78.72 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.697 2.265 . . . . 0.0 113.868 -174.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -96.7 -70.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.2 pt -104.05 -0.09 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.632 0.253 . . . . 0.0 111.458 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.493 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -53.83 -63.16 5.37 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.571 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.517 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 6.9 Cg_exo -74.24 4.88 3.97 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.133 2.556 . . . . 0.0 113.243 -177.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 39' ' ' ILE . 94.8 mt -89.74 143.87 26.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 1' ' ' MET . 12.5 m -61.27 135.85 57.86 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.326 177.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 86' ' ' TYR . 11.1 p -59.92 -24.34 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.64 -175.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 63.7 tt0 -73.8 -26.11 60.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.24 0.543 . . . . 0.0 111.079 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.81 -14.26 34.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.951 0.405 . . . . 0.0 110.629 -174.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.04 114.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.484 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -120.92 167.97 11.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.806 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.4 m -55.15 -43.89 74.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.382 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 2.2 tmtp? -64.56 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.06 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.86 -38.21 90.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.8 -39.37 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.261 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.9 mtt -58.94 -37.21 76.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.794 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 59.5 mtpt -62.07 -38.02 87.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -71.92 -43.46 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.48 -24.8 50.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.656 -175.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.605 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 16.4 t70 -43.91 -57.11 6.42 Favored Pre-proline 0 N--CA 1.472 0.653 0 O-C-N 123.849 0.718 . . . . 0.0 112.699 -175.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 58.8 Cg_endo -71.99 -23.6 21.64 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 121.793 1.662 . . . . 0.0 112.526 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.7 mm -75.43 -30.7 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 -175.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.423 ' O ' ' HG3' ' A' ' 64' ' ' PRO . 70.7 m95 -61.84 -28.63 69.62 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.347 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -82.13 -35.98 27.94 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.803 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -80.91 -60.32 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.234 -177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HE3' ' OG1' ' A' ' 66' ' ' THR . 28.9 mtpp -143.4 85.24 9.62 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.172 -175.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HG3' ' O ' ' A' ' 60' ' ' TRP . 32.4 Cg_exo -56.4 -49.74 14.1 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.368 2.712 . . . . 0.0 113.23 -174.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 71.2 mm-40 -60.8 -38.73 86.34 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.143 0.497 . . . . 0.0 110.716 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.582 ' OG1' ' HE3' ' A' ' 63' ' ' LYS . 29.9 m -68.01 -32.82 73.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.843 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 71' ' ' ARG . . . -62.23 -43.02 99.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.899 0.381 . . . . 0.0 111.073 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.724 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 24.1 t -70.22 -37.51 75.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.488 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 63.1 mtt180 -70.37 -32.49 70.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.025 0.441 . . . . 0.0 111.048 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.12 -34.22 77.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.308 176.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.724 ' HE ' ' HA ' ' A' ' 68' ' ' SER . 45.7 mtm180 -55.82 -36.15 67.16 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.555 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.54 -36.2 90.82 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.642 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -68.02 -47.37 68.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.011 0.434 . . . . 0.0 109.963 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.5 mt -61.87 -44.51 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.489 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.8 -44.66 96.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.391 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.0 m -60.59 -43.14 97.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.316 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.85 -43.22 79.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.18 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.514 HD13 ' HD2' ' A' ' 92' ' ' PRO . 94.2 mt -63.86 -36.05 82.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.464 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.27 -45.21 85.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.231 0.539 . . . . 0.0 110.11 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.406 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 89.7 t90 -60.83 -44.51 96.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.349 176.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.9 -36.83 82.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.397 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.753 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 87.5 m -65.2 -42.48 93.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.977 0.417 . . . . 0.0 111.373 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.1 t -70.42 -34.21 57.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 110.563 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 84' ' ' ARG . 3.1 mpt_? -80.75 -4.07 53.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.588 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.42 3.25 78.55 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.888 172.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.45 ' HB3' HG11 ' A' ' 44' ' ' VAL . 36.8 m-85 -70.1 -21.48 63.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.448 0.642 . . . . 0.0 109.892 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.753 ' O ' ' HA ' ' A' ' 82' ' ' THR . 11.6 ptm180 -154.56 147.86 24.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 171.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -134.58 163.28 30.08 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.033 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.38 -102.15 0.99 Allowed Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.58 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.01 162.75 38.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -82.28 141.1 45.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.514 ' HD2' HD13 ' A' ' 78' ' ' LEU . 93.4 Cg_endo -92.57 5.23 3.38 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.882 2.388 . . . . 0.0 112.735 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.55 1.4 46.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.69 -175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.542 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 5.0 ppt_? -96.55 142.95 28.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.965 0.412 . . . . 0.0 110.607 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.454 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -136.46 158.99 43.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.456 -175.009 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.44 -52.49 4.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.354 173.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.43 52.71 0.42 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.283 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 74.6 t80 -51.91 -53.67 38.23 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.174 0.511 . . . . 0.0 110.303 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.863 176.545 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.6 p -86.09 162.81 18.24 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.033 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.24 -41.42 96.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.728 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m -60.85 -40.87 94.49 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.804 0.335 . . . . 0.0 110.94 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 51.6 mt-10 -67.46 -48.35 67.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.23 -44.02 96.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.778 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.46 93.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.568 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.65 97.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 88.9 mt -63.74 -37.45 87.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.74 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -57.68 -44.36 85.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.105 0.478 . . . . 0.0 110.161 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.0 -47.95 65.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.47 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 95.7 mttt -56.98 -46.1 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.702 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.69 -3.82 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -130.1 6.64 5.0 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.212 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 16.4 ptt180 -72.57 -15.98 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.008 0.433 . . . . 0.0 111.155 -174.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -90.31 -29.39 18.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.812 173.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 m -74.6 -17.44 60.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.847 0.832 . . . . 0.0 109.038 173.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 52.0 m0 . . . . . 0 N--CA 1.439 -0.98 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.38 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.8 pttt . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.21 -45.87 79.69 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 174.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.05 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.217 0.532 . . . . 0.0 110.118 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.81 -43.4 93.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.754 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -57.84 -42.56 84.66 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.213 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -66.02 -47.99 72.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.251 176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 25.5 m -69.02 -49.27 59.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.544 -175.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -57.75 -46.61 84.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.707 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.0 p -63.78 -53.14 55.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.732 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.21 -39.93 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.05 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' THR . 7.3 tmtt? -60.08 -38.62 83.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.251 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.8 m -81.84 -49.98 9.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.995 -174.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -79.34 -48.07 14.7 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.4 m -88.42 -28.13 21.1 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.55 -64.42 3.68 Favored Glycine 0 CA--C 1.523 0.585 0 O-C-N 123.653 0.596 . . . . 0.0 114.388 -175.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -58.52 -20.66 50.52 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.949 2.433 . . . . 0.0 113.93 -175.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.49 -79.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.434 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.483 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.3 pt -96.26 4.63 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 111.466 -174.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.1 -63.45 5.26 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.537 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.5 5.46 3.73 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.979 2.453 . . . . 0.0 113.087 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.6 mt -88.56 160.59 17.38 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -71.08 138.68 49.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.458 ' HA ' HG23 ' A' ' 47' ' ' VAL . 14.5 p -66.42 -22.03 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.562 0.696 . . . . 0.0 109.693 175.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.614 ' HG2' ' HB2' ' A' ' 87' ' ' ARG . 20.1 tm0? -75.07 -36.99 61.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.332 178.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -82.79 -7.63 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -177.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 44' ' ' VAL . 94.8 t -58.11 105.65 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.128 0.489 . . . . 0.0 111.068 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -116.89 167.07 11.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.007 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.46 ' O ' ' HG3' ' A' ' 53' ' ' MET . 1.4 m -58.36 -38.93 78.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.586 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -62.73 -39.07 92.93 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.007 0.432 . . . . 0.0 110.403 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.62 -38.77 90.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.674 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.46 -38.74 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.245 177.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.3 mtt -59.45 -37.45 78.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -61.56 -38.18 86.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.3 t -75.32 -42.98 43.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.097 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.5 mt -76.72 -24.35 53.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -172.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.591 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.7 t70 -47.0 -55.56 14.84 Favored Pre-proline 0 N--CA 1.474 0.751 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -175.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 71.8 Cg_endo -77.18 -19.29 13.67 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.841 1.694 . . . . 0.0 113.299 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.57 HG22 ' HB2' ' A' ' 67' ' ' ALA . 57.0 mt -77.66 -39.72 27.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 O-C-N 122.462 -0.149 . . . . 0.0 111.3 -175.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -58.79 -29.98 67.23 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.16 0.505 . . . . 0.0 111.221 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -77.77 -27.18 50.24 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.191 -177.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -94.9 -61.89 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.323 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -140.47 85.86 12.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.178 -172.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.54 -31.06 93.62 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.777 2.318 . . . . 0.0 112.467 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.41 -45.02 92.91 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.238 0.542 . . . . 0.0 110.454 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -71.22 -36.4 71.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.21 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.57 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -62.18 -40.99 97.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.519 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.1 m -65.65 -40.48 92.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.585 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -67.98 -38.49 82.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.887 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.2 tp -63.88 -39.34 93.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.915 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -54.47 -49.74 69.38 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.13 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.58 -41.92 98.99 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.5 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -68.12 -43.07 79.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.543 0.211 . . . . 0.0 110.977 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.06 -39.52 85.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.65 0.262 . . . . 0.0 110.604 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -56.25 -48.48 76.45 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.694 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.6 m -61.78 -43.78 98.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.493 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.14 -47.81 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.956 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.552 HD13 ' HD2' ' A' ' 92' ' ' PRO . 88.7 mt -65.78 -39.79 91.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.261 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 83' ' ' VAL . 32.4 t70 -65.52 -41.91 92.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.343 . . . . 0.0 110.357 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.419 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 64.9 t90 -58.11 -51.06 71.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.373 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.58 96.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.137 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.7 m -64.16 -43.27 95.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 79' ' ' ASP . 92.1 t -68.81 -40.04 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.82 178.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 24.8 mmm180 -69.24 -16.05 63.5 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.64 32.93 8.24 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.743 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -84.26 -15.02 48.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.025 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.614 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 11.5 ptt180 -164.48 164.48 21.87 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -96.08 176.1 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.56 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.54 -125.69 7.53 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.691 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -156.02 172.47 18.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 27.2 p-10 -90.86 143.19 28.37 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 118.395 0.543 . . . . 0.0 110.828 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.552 ' HD2' HD13 ' A' ' 78' ' ' LEU . 85.9 Cg_endo -87.82 5.68 5.35 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.019 2.479 . . . . 0.0 112.888 -174.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.49 -11.48 59.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -87.65 126.56 35.03 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.922 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -117.34 116.29 26.92 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.465 -178.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -73.17 -38.49 66.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.931 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.26 -21.47 2.79 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.24 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.6 t80 65.67 175.2 0.22 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.906 0.482 . . . . 0.0 110.648 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 121.267 0.556 . . . . 0.0 110.394 178.678 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.0 p -91.99 168.25 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.415 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -65.41 -39.89 92.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.587 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -64.49 -40.48 95.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.42 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 49.0 mt-10 -65.67 -49.39 68.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.4 t -60.88 -45.12 95.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.601 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.2 86.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.786 177.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -62.42 -30.81 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 77.7 mt -73.02 -43.76 61.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.642 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -56.76 -48.55 77.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.564 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.584 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 95.3 mt -58.51 -40.14 77.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.238 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 61.4 mttp -71.09 -45.06 64.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.751 0.31 . . . . 0.0 111.391 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.5 -28.92 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.003 0.43 . . . . 0.0 111.713 -176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -107.11 6.76 29.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.65 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.584 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -67.43 -37.58 83.24 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.626 0.25 . . . . 0.0 110.867 -175.662 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -67.08 -28.43 68.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.998 0.428 . . . . 0.0 110.889 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -70.89 -33.78 70.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.853 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.3 m0 . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.827 0.346 . . . . 0.0 111.235 -178.367 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -55.22 -35.08 64.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.346 -172.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.23 93.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.813 0.339 . . . . 0.0 110.642 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.1 -36.45 66.77 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -58.8 -41.87 87.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.186 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.406 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 8.4 m95 -71.61 -46.7 58.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 176.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.3 m -61.34 -50.27 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.53 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -54.78 -50.25 68.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.967 -170.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 m -61.44 -53.61 54.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.46 -42.0 89.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.043 -175.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -64.4 -32.99 74.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.022 0.439 . . . . 0.0 110.51 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.8 m -82.67 -51.59 7.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.22 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -79.07 -50.05 11.68 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -176.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' A' ' 70' ' ' LEU . 60.3 m -85.49 -30.66 23.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -174.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.423 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -49.71 -65.08 3.03 Favored Glycine 0 CA--C 1.522 0.474 0 O-C-N 123.877 0.736 . . . . 0.0 114.155 -175.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.77 -20.23 34.45 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.942 2.428 . . . . 0.0 113.811 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.602 HG11 HG22 ' A' ' 55' ' ' VAL . 29.1 t -100.63 -73.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.546 -176.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.8 pt -104.92 4.22 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.565 0.221 . . . . 0.0 111.567 -174.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.28 -63.69 4.95 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 116.159 -0.473 . . . . 0.0 113.33 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 5.0 Cg_exo -75.78 5.49 4.34 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.98 2.453 . . . . 0.0 113.016 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 39' ' ' ILE . 78.3 mt -86.31 153.16 22.17 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.455 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 32.7 t -61.97 141.53 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.439 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.1 -22.17 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.008 0.432 . . . . 0.0 110.142 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -80.18 -33.18 38.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 43' ' ' SER . 3.0 m-20 -69.95 -24.53 63.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.394 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.9 t -55.56 111.54 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.486 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -132.74 173.4 11.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.106 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -52.18 -49.25 64.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.902 0.751 . . . . 0.0 112.452 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -71.41 -34.13 70.07 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -174.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.36 -41.87 98.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.754 0.311 . . . . 0.0 110.252 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.94 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.079 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.47 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 65.8 mtt -61.1 -40.1 92.47 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.235 178.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -59.87 -37.12 78.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.47 0.176 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.602 HG22 HG11 ' A' ' 38' ' ' VAL . 39.3 t -70.47 -48.77 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -76.42 -28.78 56.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.325 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.602 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 1.3 t70 -51.68 -53.21 53.09 Favored Pre-proline 0 N--CA 1.47 0.53 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -174.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 21.7 Cg_exo -63.27 -34.74 66.4 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.911 1.741 . . . . 0.0 112.036 175.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 57.3 mt -71.64 -32.78 46.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.424 -174.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -54.59 -25.4 26.12 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.96 -39.37 42.78 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 120.841 0.353 . . . . 0.0 111.908 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -105.97 -42.17 5.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -174.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -125.1 69.17 58.62 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.879 -173.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -63.9 -49.37 4.08 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.2 1.934 . . . . 0.0 112.118 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 38.9 tt0 -60.54 -41.5 94.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.882 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 m -69.53 -39.38 77.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.661 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 71' ' ' ARG . . . -61.76 -39.57 92.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.002 0.43 . . . . 0.0 109.972 175.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -64.19 -43.0 96.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.471 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 43.8 mtt180 -61.87 -43.53 98.66 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.117 0.485 . . . . 0.0 110.36 176.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD21 ' SG ' ' A' ' 35' ' ' CYS . 31.5 tp -61.14 -38.09 85.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.053 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 35.8 mtm180 -55.07 -44.38 74.74 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.59 -38.83 95.07 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.384 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 77' ' ' VAL . 92.1 mtt180 -67.94 -44.96 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.659 0.266 . . . . 0.0 110.687 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.6 -38.76 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.016 0.436 . . . . 0.0 109.901 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.457 ' HA ' HD21 ' A' ' 91' ' ' ASN . 5.0 tm-20 -58.44 -48.08 81.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.533 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -66.97 -33.25 75.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.724 0.297 . . . . 0.0 111.7 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 73' ' ' ARG . 85.6 t -71.24 -44.51 73.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 120.851 0.358 . . . . 0.0 110.794 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.57 -38.59 91.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.334 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.04 -45.22 93.28 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.005 0.431 . . . . 0.0 110.088 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.459 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 77.5 t90 -58.18 -51.18 70.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' HD2' ' A' ' 86' ' ' TYR . . . -63.95 -32.91 74.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.737 0.303 . . . . 0.0 111.316 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.777 HG23 ' HA3' ' A' ' 89' ' ' GLY . 70.8 m -65.08 -49.69 69.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.956 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.7 t -70.62 -37.8 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -177.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 17.0 mmm180 -70.37 -25.35 63.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.264 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.31 37.62 5.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.288 175.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 81' ' ' ALA . 85.0 m-85 -91.25 -20.9 21.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.383 . . . . 0.0 110.277 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -161.63 157.93 25.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.78 142.3 56.14 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 170.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.777 ' HA3' HG23 ' A' ' 82' ' ' THR . . . -127.26 -132.75 3.68 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.2 -1.476 . . . . 0.0 115.673 -163.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.5 114.68 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 114.301 -0.949 . . . . 0.0 109.027 -160.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.516 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 14.6 t-20 -72.35 136.88 81.21 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.378 -161.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 93.9 Cg_endo -87.22 -10.66 5.57 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.066 2.51 . . . . 0.0 112.372 173.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.87 2.87 40.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.242 0.544 . . . . 0.0 110.676 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -102.68 114.78 29.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.698 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -113.61 147.36 38.2 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.43 -173.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -75.77 -21.22 57.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.669 0.747 . . . . 0.0 109.014 171.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.43 89.63 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.046 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.402 ' HD2' ' HG ' ' A' ' 99' ' ' LEU . 67.1 t80 -50.64 -53.67 29.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.023 0.439 . . . . 0.0 110.588 -177.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.402 ' HG ' ' HD2' ' A' ' 98' ' ' TYR . 89.1 mt . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 109.767 175.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 tpp . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.893 0.377 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 60.4 p -103.68 167.9 9.49 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.831 175.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.71 -41.62 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.433 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -60.09 -43.89 95.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.097 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 41.8 mt-10 -66.0 -45.65 80.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.12 -40.85 90.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.244 0.545 . . . . 0.0 110.071 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.48 94.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.234 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.22 75.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.074 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 92.7 mt -61.21 -49.59 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.968 0.413 . . . . 0.0 110.14 176.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -58.22 -44.9 88.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.735 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.24 -50.33 53.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.964 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -68.97 -34.54 75.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.453 0.168 . . . . 0.0 111.445 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.07 -6.77 36.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.323 . . . . 0.0 111.656 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -132.76 9.34 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.128 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -64.64 -36.27 83.72 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -172.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -72.72 -25.72 61.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.169 0.509 . . . . 0.0 110.588 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 m -86.9 -12.99 46.09 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.7 m0 . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.169 0.509 . . . . 0.0 111.987 -176.66 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.741 ' HB3' ' HB3' ' A' ' 25' ' ' ASP . 33.6 mtmt . . . . . 0 N--CA 1.469 0.478 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -55.23 -35.2 64.66 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 120.641 0.257 . . . . 0.0 110.691 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.13 -39.4 78.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.957 0.408 . . . . 0.0 111.113 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.741 ' HB3' ' HB3' ' A' ' 22' ' ' LYS . 38.4 t70 -66.07 -39.03 89.73 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.035 0.445 . . . . 0.0 109.874 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -58.39 -45.43 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.58 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -62.19 -51.22 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.974 177.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m -60.58 -48.99 79.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.196 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.48 -48.14 78.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.542 -173.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 p -64.9 -51.07 63.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.664 0.268 . . . . 0.0 111.64 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 73' ' ' ARG . 78.2 mt -61.39 -43.16 96.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.072 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 23.2 ttpp -64.21 -29.57 70.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.7 m -81.48 -51.99 7.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.031 0.443 . . . . 0.0 111.76 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -79.95 -49.32 12.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.3 m -87.95 -22.35 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.107 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.492 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -51.87 -67.64 1.92 Allowed Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.974 -0.557 . . . . 0.0 113.94 -175.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.97 -5.05 4.25 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 122.904 2.403 . . . . 0.0 114.057 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.0 t -107.61 -66.39 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 111.02 -178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.3 pt -116.77 2.45 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.627 -175.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.516 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -54.29 -63.57 5.06 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 116.088 -0.506 . . . . 0.0 113.329 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 6.7 Cg_exo -74.6 5.94 3.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.053 2.502 . . . . 0.0 113.028 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 39' ' ' ILE . 83.3 mt -94.44 168.05 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 47' ' ' VAL . 47.2 t -68.74 139.47 55.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.874 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.8 p -70.47 -20.02 22.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.502 0.668 . . . . 0.0 109.675 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.493 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 23.4 tm0? -77.16 -37.65 53.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.238 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.9 -18.86 60.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.121 -175.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.595 ' HA ' HD12 ' A' ' 51' ' ' LEU . 88.0 t -59.94 114.19 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.047 0.451 . . . . 0.0 110.468 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.445 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.6 t70 -133.76 -173.18 3.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.091 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 m -58.54 -43.24 89.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.58 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -57.92 -45.19 86.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.02 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 47' ' ' VAL . 78.2 mt -67.93 -46.22 72.13 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.328 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.472 HD12 ' HB2' ' A' ' 92' ' ' PRO . 67.2 mt -61.07 -44.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.551 0.215 . . . . 0.0 111.544 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.6 ptp -64.37 -34.44 78.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.858 0.361 . . . . 0.0 110.6 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.721 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.67 -37.57 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.224 177.04 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 51' ' ' LEU . 94.5 t -61.21 -45.99 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.531 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 59' ' ' ILE . 97.8 mt -72.21 -24.43 61.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.551 -177.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.6 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 4.8 t70 -48.11 -57.17 11.08 Favored Pre-proline 0 CA--C 1.541 0.606 0 O-C-N 123.705 0.628 . . . . 0.0 112.513 -174.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 72.9 Cg_endo -76.34 -14.57 18.28 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.744 1.629 . . . . 0.0 112.598 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 56' ' ' LEU . 61.2 mt -76.25 -34.38 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.561 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -60.99 -26.82 67.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.024 0.44 . . . . 0.0 110.743 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -75.94 -47.92 23.29 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.692 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.2 -65.25 0.87 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.936 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.691 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -132.36 85.6 48.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.511 -174.262 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.79 -26.54 79.65 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.592 2.195 . . . . 0.0 112.45 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -71.15 -45.1 64.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.456 0.646 . . . . 0.0 110.04 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -71.72 -31.02 66.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.174 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.08 75.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 111.13 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -70.23 -39.94 74.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -68.22 -37.54 80.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.231 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.46 -33.92 75.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.116 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -54.69 -37.34 65.69 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.403 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.59 -36.24 91.1 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.606 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.438 ' HB3' HD11 ' A' ' 31' ' ' ILE . 72.8 mtt85 -71.28 -45.33 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.16 -41.55 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.127 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HA ' HD21 ' A' ' 91' ' ' ASN . 37.9 tt0 -59.7 -49.03 79.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.234 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -60.94 -39.18 88.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.313 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.3 t -70.96 -47.34 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.008 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.73 -37.33 82.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.308 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -59.45 -47.15 86.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 109.912 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -62.21 -49.52 75.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.663 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.58 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.737 -177.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.2 m -65.3 -44.09 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.31 -33.14 60.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.077 0.465 . . . . 0.0 110.691 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -77.48 -4.12 43.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.847 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.2 13.3 68.88 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.364 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -78.92 -19.64 51.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.089 0.471 . . . . 0.0 110.057 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.493 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 8.4 ptm180 -159.19 150.49 20.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -109.9 166.33 11.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.995 0.426 . . . . 0.0 111.071 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.57 -143.14 15.78 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.472 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.25 -175.08 2.73 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.542 HD21 ' HA ' ' A' ' 75' ' ' GLU . 15.8 t30 -94.64 136.2 23.31 Favored Pre-proline 0 C--N 1.319 -0.743 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.791 -178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HB2' HD12 ' A' ' 52' ' ' ILE . 2.8 Cg_exo -79.17 -20.62 9.8 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.935 2.423 . . . . 0.0 113.5 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.44 2.06 23.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -75.2 -64.54 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.966 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.574 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER 69.96 125.13 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 177.307 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -74.09 -30.52 62.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.74 173.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 160.46 77.03 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.98 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.574 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 62.9 t80 -71.24 -42.01 69.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.065 0.459 . . . . 0.0 110.291 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.965 178.316 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.5 tpp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.2 p -91.97 167.32 12.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.9 -41.74 95.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.503 -177.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 m -62.44 -44.74 95.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.651 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -65.79 -45.44 82.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.93 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 t -60.91 -46.06 92.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.472 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.16 94.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.987 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.01 97.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.872 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.6 -39.75 94.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -57.5 -49.54 75.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.034 0.445 . . . . 0.0 110.405 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.46 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 80.1 mt -59.62 -48.38 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.857 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.72 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 97.7 mttt -68.9 -33.31 73.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.66 -178.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -18.01 62.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 111.184 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 73.7 m80 -114.6 -11.31 12.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 10.6 ptm180 -54.16 -25.36 22.1 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -169.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 t -64.54 -38.29 90.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.053 0.454 . . . . 0.0 110.7 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -92.69 -15.11 27.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.126 0.965 . . . . 0.0 108.926 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 113.904 -1.498 . . . . 0.0 112.683 -171.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 pttt . . . . . 0 C--O 1.223 -0.293 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -55.71 -50.13 71.16 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 120.69 0.281 . . . . 0.0 111.292 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.54 80.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 110.325 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.87 -46.31 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.197 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.73 -33.56 68.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.724 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.506 ' CE3' ' HG3' ' A' ' 73' ' ' ARG . 8.8 m95 -76.79 -50.65 13.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 110.951 176.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.4 m -63.08 -47.5 82.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.203 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -56.56 -45.45 81.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.272 -175.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.493 ' HB ' HD13 ' A' ' 70' ' ' LEU . 8.3 p -62.76 -44.23 96.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.754 0.311 . . . . 0.0 111.722 -178.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.0 mt -73.6 -44.8 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.126 0.488 . . . . 0.0 110.776 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.84 -38.37 78.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.912 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.7 m -82.7 -53.79 5.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.029 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -80.36 -50.41 10.18 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -174.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -85.66 -31.26 22.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.635 -170.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -45.26 -64.71 2.15 Favored Glycine 0 CA--C 1.524 0.63 0 O-C-N 123.793 0.683 . . . . 0.0 114.784 -175.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.27 -20.04 49.54 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.402 2.068 . . . . 0.0 113.72 -174.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -96.94 -73.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.658 -174.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 42' ' ' LEU . 32.7 pt -101.03 -3.03 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.43 -174.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.96 -63.54 4.93 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.767 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 7.2 Cg_exo -74.43 5.21 3.84 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.981 2.454 . . . . 0.0 113.344 -177.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 39' ' ' ILE . 55.8 mt -92.34 150.69 20.69 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m -57.95 128.9 39.41 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.579 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.99 -22.72 31.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.379 0.609 . . . . 0.0 111.129 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 33.7 tt0 -77.97 -24.35 48.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.316 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -97.53 -0.24 46.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.465 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.36 123.73 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.663 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.466 ' HB2' ' HG ' ' A' ' 51' ' ' LEU . 46.0 m-20 -96.65 168.57 10.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.787 -177.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -68.3 -39.27 82.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.064 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -61.86 -42.02 98.55 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.746 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' A' ' 48' ' ' ASP . 55.0 mt -59.08 -41.87 89.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.663 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.27 -42.41 90.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.0 -44.36 87.18 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 120.891 0.377 . . . . 0.0 110.517 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.14 -42.02 84.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.409 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 51' ' ' LEU . 61.3 t -70.16 -41.43 78.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.444 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.3 mt -79.18 -24.23 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.349 -174.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.625 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 12.8 t70 -46.5 -57.6 8.35 Favored Pre-proline 0 N--CA 1.474 0.742 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 55.8 Cg_endo -70.45 -11.94 30.77 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.855 1.703 . . . . 0.0 112.521 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.457 HG22 ' HB2' ' A' ' 67' ' ' ALA . 29.4 mt -91.78 -36.92 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.65 -178.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.507 ' O ' ' HG3' ' A' ' 64' ' ' PRO . 50.6 m95 -53.68 -34.05 57.42 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.074 0.464 . . . . 0.0 111.543 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -82.74 -40.69 20.2 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.701 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -84.83 -54.18 4.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.554 -174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -135.07 77.31 56.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.455 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HG3' ' O ' ' A' ' 60' ' ' TRP . 25.9 Cg_exo -60.84 -35.41 88.63 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.729 2.286 . . . . 0.0 111.868 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.56 -45.67 93.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.437 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.4 m -72.69 -33.9 66.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.81 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -61.87 -48.48 80.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.33 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -68.13 -33.39 74.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.899 0.381 . . . . 0.0 111.023 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -72.12 -33.24 67.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.82 177.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.493 HD13 ' HB ' ' A' ' 30' ' ' THR . 64.8 tp -65.95 -34.95 79.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.077 176.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -58.25 -38.54 77.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.58 -32.07 80.02 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.522 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.506 ' HG3' ' CE3' ' A' ' 27' ' ' TRP . 6.3 mpt_? -66.35 -51.98 51.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.974 0.416 . . . . 0.0 110.031 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.0 mt -67.3 -39.72 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.478 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' HA ' HD21 ' A' ' 91' ' ' ASN . 36.2 tt0 -58.01 -47.51 82.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.152 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.7 t -75.44 -32.47 60.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.966 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 73' ' ' ARG . 75.5 t -67.49 -44.53 86.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.669 0.271 . . . . 0.0 110.53 177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.535 HD13 ' HD2' ' A' ' 92' ' ' PRO . 99.0 mt -66.98 -33.8 76.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 0.0 110.336 176.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.66 -47.06 87.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.419 0.628 . . . . 0.0 109.804 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -63.17 -45.8 90.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.868 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -61.25 -35.19 76.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.671 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 89.7 m -62.56 -43.45 98.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.051 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.6 t -72.72 -40.51 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.723 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.591 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -72.32 -10.34 59.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.92 177.732 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.15 13.95 63.16 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.798 172.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.47 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 63.6 m-85 -68.81 -32.24 71.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.292 0.568 . . . . 0.0 109.945 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -150.09 152.72 35.22 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 170.637 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.07 176.13 8.97 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.121 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.98 99.41 0.06 OUTLIER Glycine 0 C--N 1.331 0.269 0 CA-C-N 115.954 -0.566 . . . . 0.0 114.457 -171.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' OD2' ' HD3' ' A' ' 92' ' ' PRO . 28.3 t70 -169.69 137.73 1.77 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.098 0.559 . . . . 0.0 109.778 174.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.441 HD21 ' HA ' ' A' ' 75' ' ' GLU . 22.9 t-20 -135.42 87.77 26.53 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.303 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.535 ' HD2' HD13 ' A' ' 78' ' ' LEU . 43.6 Cg_endo -67.94 -5.43 14.55 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.979 2.453 . . . . 0.0 113.159 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.13 -46.69 10.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.549 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 94' ' ' ARG . 26.5 ttp180 -72.1 132.09 43.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.556 0.693 . . . . 0.0 111.569 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.463 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 1.4 m-90 -120.34 148.94 43.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.063 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -102.83 -29.3 11.54 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -157.92 56.29 0.37 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.733 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.463 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 86.1 t80 -65.25 -41.56 94.17 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 173.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.047 177.313 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 tpp . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.865 0.364 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 60.1 p -95.5 166.4 11.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.17 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.2 -40.34 89.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.294 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 m -63.51 -43.48 97.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 43.0 mt-10 -65.42 -48.13 73.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.845 0.355 . . . . 0.0 111.064 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.3 t -62.17 -43.44 98.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.213 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.15 89.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.622 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.79 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.062 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 87.8 mt -64.28 -41.63 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.484 177.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -62.59 -40.17 96.06 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.321 0.581 . . . . 0.0 109.938 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.97 -49.11 83.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.949 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.67 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 89.8 mttt -61.34 -32.85 72.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.848 0.356 . . . . 0.0 111.263 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.95 -10.35 56.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.63 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -129.27 4.59 5.21 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.67 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 11.5 ptm180 -65.69 -20.44 66.29 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.029 0.442 . . . . 0.0 110.807 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -69.73 -36.04 75.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.534 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -83.1 -30.75 27.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.229 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.5 m0 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.84 179.705 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt . . . . . 0 CA--C 1.529 0.171 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -58.67 -42.79 89.27 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 111.362 0.134 . . . . 0.0 111.362 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.9 -46.53 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.925 0.393 . . . . 0.0 110.76 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.68 -47.94 70.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -63.25 -30.56 71.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.059 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.566 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 6.4 m95 -61.04 -47.1 87.98 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.228 172.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -67.77 -41.43 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.171 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -54.74 -50.29 68.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.901 -173.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.474 HG22 HD13 ' A' ' 70' ' ' LEU . 14.6 m -68.42 -43.16 77.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.551 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.49 -41.5 88.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.964 0.411 . . . . 0.0 110.525 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -58.69 -37.57 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.314 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.5 m -79.7 -55.45 5.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.85 -173.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.22 -49.81 9.69 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.3 m -84.97 -32.25 23.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.506 -171.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.476 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -44.45 -63.82 2.28 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 123.758 0.661 . . . . 0.0 114.644 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.97 -18.1 63.38 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.905 2.403 . . . . 0.0 113.845 -175.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 t -108.2 -77.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.678 -175.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 42' ' ' LEU . 32.5 pt -94.92 3.52 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 111.512 -174.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -55.74 -63.99 4.79 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.968 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 10.4 Cg_exo -72.45 -5.78 17.8 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.92 2.413 . . . . 0.0 112.853 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 39' ' ' ILE . 73.0 mt -76.36 141.4 41.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.888 0.375 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.425 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 13.8 m -65.2 141.85 58.52 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.912 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.72 -24.47 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -83.86 -21.34 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.34 0.59 . . . . 0.0 110.291 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' A' ' 43' ' ' SER . 1.7 m-20 -88.86 -28.56 20.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.019 -175.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.549 ' HA ' HD12 ' A' ' 51' ' ' LEU . 61.4 t -65.73 116.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.805 0.336 . . . . 0.0 110.302 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.463 ' OD1' ' HG ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -113.33 -174.7 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.336 -179.482 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 53' ' ' MET . 25.6 m -59.97 -42.35 93.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.707 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -69.0 -40.09 78.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.725 0.297 . . . . 0.0 110.454 -175.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 47' ' ' VAL . 77.2 mt -61.7 -38.81 89.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.762 177.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.518 HD13 ' HB2' ' A' ' 93' ' ' ALA . 81.0 mt -68.93 -36.36 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.424 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 49' ' ' THR . 63.2 mtt -56.8 -45.13 82.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.762 176.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 40.4 mtpt -59.13 -36.53 75.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.383 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.63 -44.13 70.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.957 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.35 -30.15 57.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.556 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.7 t70 -48.3 -55.22 19.69 Favored Pre-proline 0 N--CA 1.472 0.673 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 60.6 Cg_endo -73.63 -14.14 24.67 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.968 1.779 . . . . 0.0 112.976 -179.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.9 mt -80.41 -31.02 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 122.326 -0.234 . . . . 0.0 110.446 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -61.28 -24.41 66.38 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.094 0.473 . . . . 0.0 110.552 175.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 7.5 mm-40 -69.9 -46.94 64.33 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.741 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HG2' ' HG3' ' A' ' 63' ' ' LYS . 35.1 tt0 -87.82 -59.07 2.35 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.142 -173.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.532 ' HB2' ' HB ' ' A' ' 66' ' ' THR . 21.9 mtpp -137.83 86.93 17.46 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.99 -171.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.57 -50.03 15.46 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.038 2.492 . . . . 0.0 113.617 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 36.3 tt0 -66.41 -35.72 81.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.005 0.431 . . . . 0.0 110.44 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 63' ' ' LYS . 80.2 m -69.98 -32.73 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.645 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.33 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.487 . . . . 0.0 109.922 173.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 m -68.98 -41.57 77.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.678 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.504 ' HE ' ' HA ' ' A' ' 66' ' ' THR . 82.0 mtm180 -68.51 -34.71 76.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.357 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 74' ' ' ILE . 58.7 tp -66.45 -45.83 78.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -39.41 84.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.403 178.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.67 -43.74 98.68 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.595 -0.729 . . . . 0.0 113.035 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.566 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 18.4 ptp180 -72.93 -34.23 66.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.148 0.474 . . . . 0.0 110.818 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 70' ' ' LEU . 77.9 mt -59.6 -39.79 80.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 110.605 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HA ' HD21 ' A' ' 91' ' ' ASN . 35.8 tt0 -54.98 -48.16 73.62 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.445 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.2 m -62.59 -36.34 82.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.683 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.7 t -71.19 -49.17 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.12 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.439 HD13 ' HG2' ' A' ' 92' ' ' PRO . 88.9 mt -64.44 -42.42 95.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.707 -176.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -68.77 -29.22 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.173 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -69.51 -40.15 77.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.026 0.441 . . . . 0.0 110.169 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -59.48 -36.71 76.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.174 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.63 HG21 ' HA2' ' A' ' 89' ' ' GLY . 29.7 m -63.42 -42.56 98.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.013 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 79' ' ' ASP . 66.9 t -62.25 -39.02 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.046 0.451 . . . . 0.0 110.255 177.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -76.86 -6.09 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.587 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.09 29.76 56.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.841 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.42 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 42.6 m-85 -84.31 -26.86 28.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.358 . . . . 0.0 110.568 176.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -146.42 175.19 10.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.561 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -79.4 167.65 20.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.654 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.63 ' HA2' HG21 ' A' ' 82' ' ' THR . . . -72.74 169.99 51.77 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.91 -0.586 . . . . 0.0 113.766 -175.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 48.9 t0 65.58 124.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 122.33 1.062 . . . . 0.0 111.306 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.411 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 30.6 t-20 -84.01 139.42 39.82 Favored Pre-proline 0 C--N 1.316 -0.881 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.916 -167.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.439 ' HG2' HD13 ' A' ' 78' ' ' LEU . 57.6 Cg_endo -74.39 -21.38 17.42 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.661 2.241 . . . . 0.0 112.563 175.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.518 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -95.39 11.95 30.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.903 0.382 . . . . 0.0 110.621 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 95' ' ' TRP . 65.7 ttt180 -65.25 -73.88 0.12 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.143 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.421 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 1.6 m-90 72.11 132.62 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.872 0.844 . . . . 0.0 112.637 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 96' ' ' ARG . 45.4 mtp180 -98.83 -32.73 11.2 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.513 174.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.01 75.14 0.18 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.022 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -70.16 -59.39 2.92 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--N 1.325 -0.482 0 CA-C-O 121.488 0.661 . . . . 0.0 109.277 171.702 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.446 0.165 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 53.0 p -103.09 165.59 10.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -64.47 -40.63 96.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.252 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -59.23 -47.39 85.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.72 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 47.4 mt-10 -61.57 -49.55 76.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.994 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 33.7 t -63.08 -47.71 81.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.986 -175.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.85 81.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.875 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.68 96.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 83.0 mt -63.04 -39.34 94.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.919 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -57.61 -49.76 75.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.331 0.586 . . . . 0.0 110.695 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.56 -46.74 79.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.912 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 58.2 mtpt -65.69 -34.01 77.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.54 -34.1 65.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 0.0 111.378 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -96.47 0.05 49.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.731 0.301 . . . . 0.0 110.628 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.574 ' HA ' ' HB2' ' A' ' 18' ' ' TRP . 13.3 ptm180 -66.2 -24.5 66.63 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 120.65 0.262 . . . . 0.0 110.783 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -57.28 -42.73 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.154 0.502 . . . . 0.0 110.421 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 m -86.98 -8.41 57.23 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.574 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 36.5 m0 . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.23 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HE3' ' HB2' ' A' ' 22' ' ' LYS . 18.3 ptmt . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.469 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 5.2 p80 -57.96 -29.46 65.22 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.761 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.52 80.61 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.184 0.516 . . . . 0.0 110.48 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -67.18 -42.61 83.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.126 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -58.63 -38.22 77.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.584 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.469 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 16.2 m95 -58.45 -52.0 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.973 0.416 . . . . 0.0 110.514 174.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -64.99 -45.47 85.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.557 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -58.79 -46.36 87.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.243 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 p -70.78 -47.24 60.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.457 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.23 -41.31 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.151 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -37.44 76.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.243 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.6 m -81.88 -52.48 7.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.602 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -79.84 -49.7 11.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.6 m -94.01 -23.34 18.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -171.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.71 -64.73 3.49 Favored Glycine 0 CA--C 1.523 0.538 0 O-C-N 123.494 0.496 . . . . 0.0 113.843 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.16 -4.99 10.1 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.923 2.416 . . . . 0.0 113.764 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.71 -65.81 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.564 0.221 . . . . 0.0 111.544 -176.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.501 ' HA ' HD12 ' A' ' 42' ' ' LEU . 29.9 pt -114.69 3.6 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -173.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.98 -63.99 4.76 Favored Glycine 0 CA--C 1.526 0.727 0 O-C-N 123.299 0.375 . . . . 0.0 113.898 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.48 3.95 5.92 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.656 2.237 . . . . 0.0 113.41 -178.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 39' ' ' ILE . 87.2 mt -82.13 163.69 21.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 46.6 t -70.27 150.8 46.0 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.075 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 87' ' ' ARG . 11.8 p -66.55 -18.86 24.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.205 0.526 . . . . 0.0 110.584 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.487 ' HB3' ' HB2' ' A' ' 87' ' ' ARG . 3.3 pt20 -103.77 -9.35 19.13 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 122.06 -0.4 . . . . 0.0 111.548 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.541 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 5.1 m-20 -93.0 4.78 53.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 175.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.95 104.36 2.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 171.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.491 ' H ' HD12 ' A' ' 51' ' ' LEU . 55.7 m-20 -88.77 165.32 14.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.451 0.643 . . . . 0.0 111.533 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 53' ' ' MET . 23.0 m -66.97 -41.36 86.96 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.815 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 53' ' ' MET . 2.6 tmtm? -69.67 -32.69 71.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.428 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.498 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 43.6 mt -65.95 -38.63 89.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.301 . . . . 0.0 111.084 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 48' ' ' ASP . 43.4 mt -68.38 -34.38 65.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.921 0.391 . . . . 0.0 110.327 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.429 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.3 mtt -55.5 -41.86 73.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.723 175.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 51' ' ' LEU . 26.6 mtpp -56.07 -38.15 70.28 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.122 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 59' ' ' ILE . 39.9 t -77.98 -48.22 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.86 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.4 mt -72.42 -37.0 68.73 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -170.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 16.9 t70 -51.43 -55.19 31.26 Favored Pre-proline 0 N--CA 1.472 0.627 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -173.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 37.1 Cg_endo -68.49 -23.26 37.61 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.173 1.915 . . . . 0.0 112.386 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 55' ' ' VAL . 57.0 mt -73.88 -25.86 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.598 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.541 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 85.1 m95 -60.33 -26.36 66.51 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.732 0.301 . . . . 0.0 111.4 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -81.68 -31.7 32.12 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.782 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 62' ' ' GLN . 15.8 mm-40 -90.63 -58.45 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.421 -176.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -140.4 85.15 13.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.8 -175.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.85 -37.33 94.33 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.33 2.02 . . . . 0.0 112.329 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.02 -46.23 88.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.405 0.621 . . . . 0.0 110.34 178.057 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.0 m -71.41 -34.44 70.35 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.064 -177.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.76 96.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.97 0.414 . . . . 0.0 110.907 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.5 p -71.43 -34.84 70.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 48.3 mtp180 -71.97 -35.06 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.343 . . . . 0.0 111.155 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.63 -39.98 93.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.141 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -56.34 -46.35 79.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.644 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.02 -40.38 95.17 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.729 -0.668 . . . . 0.0 113.178 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -71.61 -33.92 69.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.127 0.464 . . . . 0.0 110.834 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.33 -44.03 97.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.15 -43.73 70.83 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -60.28 -40.96 92.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.339 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.1 -48.76 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.094 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.444 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 87.4 mt -60.41 -41.84 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.81 -43.6 95.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.834 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -59.4 -47.01 87.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.746 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -62.83 -35.97 81.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.252 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.402 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 55.2 m -62.72 -47.45 83.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.439 0.161 . . . . 0.0 110.695 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.64 -44.02 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.927 0.394 . . . . 0.0 110.708 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -68.72 -25.5 64.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.29 30.44 8.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.724 . . . . 0.0 113.036 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -100.6 1.61 40.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.942 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.549 ' HB3' HG13 ' A' ' 44' ' ' VAL . 8.9 ptm180 -163.73 174.41 11.68 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.45 -179.03 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.937 0.399 . . . . 0.0 111.339 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.402 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -94.27 25.39 22.61 Favored Glycine 0 C--N 1.33 0.21 0 N-CA-C 115.025 0.77 . . . . 0.0 115.025 -167.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -116.01 140.02 49.68 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 117.188 0.494 . . . . 0.0 110.494 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -119.45 90.22 42.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.623 0.249 . . . . 0.0 111.065 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.33 -10.63 11.25 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.671 2.914 . . . . 0.0 113.824 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.17 -9.24 58.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 110.639 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -95.2 131.4 41.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 172.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.766 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -123.25 128.76 50.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -167.786 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -115.61 -15.89 11.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.706 168.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.55 44.36 1.27 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.75 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.766 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 18.8 t80 -110.15 133.11 53.55 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 N--CA 1.445 -0.68 0 O-C-N 123.697 0.623 . . . . 0.0 110.804 -178.652 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 tpp . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.893 0.378 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.9 p -95.52 164.14 12.92 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.17 -40.0 92.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.4 m -58.8 -46.91 86.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.634 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.8 mt-10 -62.33 -48.91 77.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -63.33 -46.79 85.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.41 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.86 98.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.731 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.83 94.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.01 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 72.1 mt -64.15 -41.74 97.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.713 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -57.85 -45.7 85.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.134 0.492 . . . . 0.0 110.211 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.43 HG23 ' HZ3' ' A' ' 18' ' ' TRP . 99.3 mt -69.83 -49.82 54.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.327 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.647 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 55.0 tttm -65.59 -34.89 79.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.58 -175.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.36 2.65 20.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.2 -0.312 . . . . 0.0 111.449 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -136.7 6.17 2.93 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 111.4 0.148 . . . . 0.0 111.4 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 13.9 ptm180 -64.29 -39.72 94.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 0.0 110.789 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 m -71.16 -21.09 62.22 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.193 0.52 . . . . 0.0 110.8 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -80.63 -40.19 26.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.242 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.43 ' HZ3' HG23 ' A' ' 11' ' ' ILE . 54.9 m0 . . . . . 0 C--O 1.235 0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.443 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt . . . . . 0 C--O 1.226 -0.176 0 CA-C-O 120.745 0.307 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -45.9 92.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.678 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -35.29 79.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.134 0.493 . . . . 0.0 110.477 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.27 -46.87 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.893 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -57.38 -40.55 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.641 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.536 ' CE3' ' HG3' ' A' ' 73' ' ' ARG . 40.4 m95 -60.0 -51.25 70.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.778 0.323 . . . . 0.0 111.01 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 m -69.91 -46.68 64.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.615 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.82 -49.83 76.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.022 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.582 HG22 HD13 ' A' ' 70' ' ' LEU . 13.3 m -65.77 -46.72 77.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.591 0.234 . . . . 0.0 111.298 -175.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.8 mt -64.41 -45.01 97.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.807 0.337 . . . . 0.0 110.837 -178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -58.8 -38.28 78.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.43 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.0 m -82.54 -53.5 5.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.002 -172.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -81.12 -49.17 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 70' ' ' LEU . 62.9 m -81.73 -27.37 33.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -174.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.52 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -46.59 -64.1 2.78 Favored Glycine 0 CA--C 1.527 0.809 0 O-C-N 123.758 0.661 . . . . 0.0 114.432 -176.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -63.14 -9.41 17.11 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.895 2.397 . . . . 0.0 114.367 -174.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.4 t -115.59 -78.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.467 -177.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.573 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.6 pt -93.57 -5.62 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.541 -173.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.85 -63.61 4.38 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 123.586 0.554 . . . . 0.0 113.623 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 4.4 Cg_exo -80.83 5.64 6.05 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.979 2.452 . . . . 0.0 113.012 -178.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.3 mt -87.57 156.75 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 m -61.13 135.91 57.91 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.637 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.31 -24.98 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.703 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -80.3 -34.44 36.85 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.26 -18.43 62.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.987 -175.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 51' ' ' LEU . 60.8 t -62.21 108.5 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -122.76 -173.34 2.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.572 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.469 ' OG1' ' HB3' ' A' ' 92' ' ' PRO . 6.9 m -58.93 -42.18 89.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.748 -176.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.14 -45.39 94.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.138 0.494 . . . . 0.0 110.609 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 47' ' ' VAL . 85.7 mt -65.74 -39.79 91.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.077 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -69.48 -41.14 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.1 mtt -59.45 -41.33 89.4 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.458 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 39.9 mtpt -56.74 -37.92 71.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.312 . . . . 0.0 111.37 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.98 -49.2 40.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.98 -33.82 63.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -172.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.572 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 11.1 t70 -48.25 -56.21 15.14 Favored Pre-proline 0 N--CA 1.47 0.55 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 58.0 Cg_endo -72.83 -16.16 26.34 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 121.866 1.711 . . . . 0.0 113.056 -178.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mt -78.4 -29.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.219 -0.192 . . . . 0.0 110.802 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -57.44 -32.89 67.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.847 0.356 . . . . 0.0 111.699 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -77.9 -32.74 51.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.65 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -91.11 -56.68 3.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.602 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -141.25 80.32 16.82 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.256 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.62 -44.0 34.93 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.923 2.415 . . . . 0.0 113.03 -174.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -62.48 -40.08 95.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.162 0.505 . . . . 0.0 110.668 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -65.91 -36.25 82.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.89 98.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.891 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.448 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 11.1 t -69.2 -39.9 78.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.95 -35.66 79.09 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.582 HD13 HG22 ' A' ' 30' ' ' THR . 62.9 tp -63.24 -39.23 94.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.321 176.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HE ' ' HA ' ' A' ' 68' ' ' SER . 40.8 mtm105 -59.22 -41.57 88.95 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.166 176.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.39 -37.67 93.52 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.163 -0.542 . . . . 0.0 112.048 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.536 ' HG3' ' CE3' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -63.92 -50.24 69.49 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.602 0.239 . . . . 0.0 110.425 175.598 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 56.2 mt -66.29 -44.07 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -177.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HA ' HD21 ' A' ' 91' ' ' ASN . 36.5 tt0 -55.26 -47.95 74.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -66.08 -36.89 84.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.293 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 73' ' ' ARG . 89.4 t -70.62 -44.37 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.732 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 70.3 mt -64.33 -38.66 91.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.727 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.55 -46.99 87.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.044 0.449 . . . . 0.0 110.305 175.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.436 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 70.3 t90 -60.93 -47.15 87.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.167 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.68 -31.06 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.308 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.457 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 96.6 m -65.94 -49.26 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.614 176.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.9 t -66.99 -32.04 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 25.9 mmm180 -80.75 -11.54 59.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.44 35.53 32.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.208 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -96.24 -19.12 19.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.854 0.359 . . . . 0.0 110.619 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -153.63 176.37 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.59 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.6 169.31 17.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.277 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.457 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -86.39 16.44 44.49 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.91 -0.586 . . . . 0.0 114.344 -170.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 24.5 t70 -98.15 133.69 42.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.412 HD21 ' HA ' ' A' ' 75' ' ' GLU . 44.6 t-20 -116.29 89.33 25.91 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.539 -175.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HB3' ' OG1' ' A' ' 49' ' ' THR . 16.2 Cg_exo -68.04 -3.89 11.48 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.359 2.706 . . . . 0.0 113.409 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.56 -14.02 55.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.243 0.544 . . . . 0.0 110.462 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -105.85 131.74 52.81 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.898 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.423 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 1.4 m-90 -117.24 148.12 41.92 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.11 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -104.62 -20.19 13.74 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -128.62 -88.13 0.56 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.912 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.423 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 31.5 t80 60.98 -73.76 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.741 0.816 . . . . 0.0 112.395 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--O 1.233 0.203 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.11 -176.242 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.0 tpp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p -95.62 170.12 9.55 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.49 -36.88 83.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.867 0.365 . . . . 0.0 110.064 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 t -63.57 -43.65 96.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.241 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 38.7 mt-10 -64.7 -49.47 70.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.078 0.466 . . . . 0.0 111.056 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 t -65.46 -39.94 92.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.938 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.41 85.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.523 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.32 75.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.995 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 92.7 mt -67.63 -41.2 84.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.38 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -56.83 -46.78 81.47 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.38 0.609 . . . . 0.0 109.737 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 97.0 mt -59.63 -48.57 86.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.08 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 60.6 mttm -60.57 -40.46 91.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.635 0.255 . . . . 0.0 111.658 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.68 -4.72 24.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.775 0.321 . . . . 0.0 111.735 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -128.71 9.97 5.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.83 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 18.6 mmm180 -59.67 -39.44 84.5 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.208 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -59.33 -34.96 72.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.078 0.466 . . . . 0.0 111.165 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 m -82.19 -15.96 51.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.713 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -111.97 36.09 3.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.98 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.53 ' HB2' ' N ' ' A' ' 21' ' ' THR . 68.8 mmtt 76.85 -156.75 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 116.876 -1.535 . . . . 0.0 109.785 171.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.528 ' C ' ' HB3' ' A' ' 19' ' ' LYS . 13.9 m120 -51.64 98.86 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 121.056 3.724 . . . . 0.0 121.056 65.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.53 ' N ' ' HB2' ' A' ' 19' ' ' LYS . 7.6 p -144.76 168.68 19.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 112.668 -2.06 . . . . 0.0 109.286 160.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 21.0 mtpt -85.91 10.26 14.46 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.493 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 69.0 m-70 -62.92 -42.23 99.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.22 84.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.23 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.61 -45.61 86.13 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.406 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -58.26 -42.16 85.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.462 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.493 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 23.6 m95 -60.29 -51.53 69.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.719 0.295 . . . . 0.0 110.394 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -61.14 -48.8 79.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.992 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.4 -46.82 84.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.992 -173.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m -60.93 -48.1 83.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.811 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.43 -44.6 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.791 -178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 4.1 ttpm? -59.62 -34.91 73.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.5 m -82.37 -53.03 6.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.821 -175.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -79.32 -49.24 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -95.37 -15.97 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.329 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 32' ' ' LYS . . . -54.64 -64.62 4.16 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.877 -0.601 . . . . 0.0 114.108 -175.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.0 -7.93 14.74 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.783 2.322 . . . . 0.0 113.473 -176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 t -107.57 -71.61 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 0.0 111.442 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.9 pt -107.23 -0.4 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.531 -174.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.52 -63.59 4.78 Favored Glycine 0 CA--C 1.522 0.488 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.321 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.87 5.17 5.86 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.662 2.241 . . . . 0.0 112.988 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 39' ' ' ILE . 85.9 mt -87.92 155.59 19.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.528 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 39.5 t -63.86 137.76 58.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.573 0.225 . . . . 0.0 110.448 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.18 -18.87 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.398 0.618 . . . . 0.0 110.13 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.544 ' HG3' ' HA ' ' A' ' 87' ' ' ARG . 27.7 tt0 -85.03 -32.05 23.11 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.185 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 4.1 m-20 -91.24 10.2 28.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.919 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 43' ' ' SER . 96.3 t -70.23 120.74 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' H ' HD12 ' A' ' 51' ' ' LEU . 26.8 t70 -115.18 163.59 15.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.99 0.424 . . . . 0.0 111.094 -175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -61.14 -37.83 84.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.567 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 7.8 ttmm -58.16 -45.37 87.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.2 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 55' ' ' VAL . 79.5 mt -63.77 -41.69 97.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.847 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 93' ' ' ALA . 60.8 mt -68.11 -43.12 85.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.844 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 72.8 mtm -64.89 -34.18 77.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.056 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 55.9 mtpt -60.83 -37.1 80.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.048 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 51' ' ' LEU . 40.2 t -77.25 -49.27 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.1 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.38 -36.0 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -171.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.658 ' HA ' ' HD1' ' A' ' 60' ' ' TRP . 7.7 t70 -56.93 -52.79 71.3 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -173.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 52.0 Cg_exo -52.66 -38.01 75.82 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.262 1.974 . . . . 0.0 112.663 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 55' ' ' VAL . 57.3 mt -67.61 -33.09 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.332 -175.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.658 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 91.5 m95 -57.37 -34.34 68.74 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 111.41 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -67.11 -44.8 79.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.542 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -91.79 -53.24 4.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.015 -175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -133.65 79.55 58.8 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.795 -173.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.21 -32.9 50.99 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.364 2.043 . . . . 0.0 111.744 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.52 -43.67 93.31 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.274 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.8 m -68.83 -37.65 79.32 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.731 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.48 97.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.604 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.0 m -63.85 -45.24 90.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.639 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -67.19 -40.32 86.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.891 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 74' ' ' ILE . 56.5 tp -67.82 -37.82 82.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.685 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.453 ' O ' ' HD2' ' A' ' 71' ' ' ARG . 2.6 tmm_? -59.22 -40.95 87.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.85 -38.9 96.8 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.289 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 77' ' ' VAL . 92.4 mtt180 -64.78 -43.72 92.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.583 0.23 . . . . 0.0 110.777 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 70' ' ' LEU . 68.8 mt -60.54 -41.55 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.601 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -47.79 84.11 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.476 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.8 m -62.81 -40.47 97.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.913 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 73' ' ' ARG . 94.1 t -69.62 -47.49 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.051 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.557 HD13 ' HD2' ' A' ' 92' ' ' PRO . 85.3 mt -67.05 -34.17 77.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.278 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 83' ' ' VAL . 10.1 t70 -62.27 -46.4 88.96 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.427 ' CZ2' ' HG3' ' A' ' 84' ' ' ARG . 90.7 t90 -61.44 -44.71 96.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.461 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -36.7 77.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.396 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.4 m -66.6 -43.11 85.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.74 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 79' ' ' ASP . 59.8 t -65.61 -42.83 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.073 0.463 . . . . 0.0 110.658 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HG3' ' CZ2' ' A' ' 80' ' ' TRP . 9.6 mmm180 -69.28 -25.58 64.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.701 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.24 56.51 1.57 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.136 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -123.08 8.46 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.544 ' HA ' ' HG3' ' A' ' 45' ' ' GLN . 8.2 ptm85 -167.92 -39.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 121.205 -0.198 . . . . 0.0 111.502 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.47 177.65 0.08 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.48 0.712 . . . . 0.0 112.397 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.19 -126.26 7.3 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.814 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -137.49 -176.03 4.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -101.08 143.13 26.0 Favored Pre-proline 0 N--CA 1.441 -0.917 0 CA-C-O 120.93 0.395 . . . . 0.0 111.886 -172.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.557 ' HD2' HD13 ' A' ' 78' ' ' LEU . 69.3 Cg_endo -78.37 -13.19 15.27 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.595 2.196 . . . . 0.0 111.739 175.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.509 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -98.76 6.83 46.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.557 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -66.88 -54.19 24.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.101 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 67.25 119.98 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.605 0.717 . . . . 0.0 112.271 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -88.98 9.03 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.742 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 150.68 84.81 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.074 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -91.24 157.06 17.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 80.4 mt 58.7 17.47 5.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.096 0.558 . . . . 0.0 111.458 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 104' ' ' HIS . 12.4 tp10 -65.54 156.21 33.29 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.837 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 75.21 -43.15 0.5 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.742 0.817 . . . . 0.0 111.377 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -87.55 -44.57 11.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.034 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -146.83 -73.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.409 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 4.9 t-160 58.96 -95.51 0.06 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.977 0.511 . . . . 0.0 110.075 -172.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 14.8 t-80 169.62 -90.96 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' ' 105' ' ' HIS . 36.2 t-80 . . . . . 0 C--O 1.244 0.805 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 ttm . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.127 0.489 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 47.9 p -83.84 171.28 13.25 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.048 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -67.09 -34.55 77.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -59.26 -47.22 86.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.185 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 38.5 mt-10 -63.85 -49.72 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.213 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.1 -49.35 72.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.249 -175.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 11' ' ' ILE . . . -57.71 -44.29 85.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.821 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.36 94.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.318 . . . . 0.0 110.689 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 82.0 mt -63.29 -43.08 98.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.654 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -60.71 -46.95 88.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.568 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.687 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 91.1 mt -58.41 -44.72 89.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.83 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 86.1 mttt -71.02 -37.86 72.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.636 0.255 . . . . 0.0 111.206 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.39 -40.45 64.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.594 -176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -103.85 12.93 33.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.742 0.306 . . . . 0.0 111.042 -173.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.687 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 16.3 ptm180 -67.29 -30.51 70.39 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.608 -177.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -74.82 -14.44 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.165 0.507 . . . . 0.0 110.626 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -83.2 -12.53 56.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.414 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.409 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 16.7 m0 -111.45 36.5 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.78 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.758 ' HB2' HG23 ' A' ' 21' ' ' THR 0.316 27.3 mtpp 76.68 -151.6 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 116.572 -1.68 . . . . 0.0 109.001 -174.194 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.525 ' C ' ' HB3' ' A' ' 19' ' ' LYS . 93.7 m-20 -53.73 100.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 121.27 3.804 . . . . 0.0 121.27 66.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.758 HG23 ' HB2' ' A' ' 19' ' ' LYS . 18.5 p -112.71 -174.76 2.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.28 156.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -91.92 9.27 33.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.209 0.528 . . . . 0.0 109.997 171.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -62.34 -31.82 72.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.706 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.9 76.21 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.89 0.376 . . . . 0.0 110.623 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.54 -45.52 65.36 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.202 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -58.42 -31.32 67.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.455 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.576 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 16.5 m95 -77.11 -52.71 8.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.871 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.5 m -65.7 -46.97 76.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.98 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -55.25 -49.33 72.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.705 -175.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 p -73.45 -41.28 63.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.584 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.95 -39.83 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.637 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.96 -37.41 76.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.97 0.414 . . . . 0.0 110.553 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.1 m -81.1 -52.02 7.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.033 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.53 -50.22 11.96 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.8 m -92.07 -24.24 19.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.09 -64.48 3.53 Favored Glycine 0 CA--C 1.525 0.709 0 O-C-N 123.648 0.592 . . . . 0.0 114.105 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.98 -16.06 40.51 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.567 2.178 . . . . 0.0 113.384 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG11 HG22 ' A' ' 55' ' ' VAL . 40.5 t -91.9 -68.05 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.409 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.509 ' HA ' HD12 ' A' ' 42' ' ' LEU . 24.1 pt -113.95 5.39 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.476 -175.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.4 -63.96 4.61 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.295 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.39 1.18 8.66 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.77 2.313 . . . . 0.0 113.031 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 39' ' ' ILE . 82.1 mt -83.69 146.27 28.31 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 20.7 t -65.01 146.21 55.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.871 0.367 . . . . 0.0 110.513 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -64.95 -21.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.307 0.575 . . . . 0.0 109.605 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.439 HE21 ' HA ' ' A' ' 87' ' ' ARG . 1.5 tm0? -72.58 -39.69 67.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.368 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 43' ' ' SER . 27.9 m-20 -73.75 -16.09 61.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -174.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.467 ' HB ' ' NH2' ' A' ' 87' ' ' ARG . 62.1 t -59.0 111.15 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.113 0.482 . . . . 0.0 110.892 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 52' ' ' ILE . 10.9 t70 -122.25 165.51 16.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.357 -176.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 53' ' ' MET . 1.2 m -53.89 -42.68 68.93 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.704 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.63 -44.93 96.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.152 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 55' ' ' VAL . 84.2 mt -67.91 -42.13 81.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.334 -176.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 48' ' ' ASP . 64.0 mt -59.64 -40.51 82.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.841 0.353 . . . . 0.0 110.589 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' A' ' 49' ' ' THR . 65.6 mtt -59.53 -40.17 86.31 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.477 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.987 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 8.9 mmpt? -70.14 -37.26 75.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.556 HG22 HG11 ' A' ' 38' ' ' VAL . 48.7 t -61.38 -44.66 98.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.171 0.51 . . . . 0.0 110.425 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.4 mt -79.1 -24.48 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.123 -175.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.562 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 5.3 t0 -48.61 -57.79 10.03 Favored Pre-proline 0 N--CA 1.47 0.564 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -173.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 69.7 Cg_endo -73.55 -14.7 24.82 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.012 1.808 . . . . 0.0 111.972 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mm -79.59 -35.01 16.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.359 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -59.66 -25.64 64.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 111.524 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.52 -30.84 33.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.515 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -100.61 -51.45 3.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.435 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.37 80.15 40.43 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.076 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.44 -51.64 7.01 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.822 2.348 . . . . 0.0 113.037 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.535 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 3.7 mp0 -62.27 -39.42 92.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 120.877 0.37 . . . . 0.0 110.503 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.3 m -66.67 -36.26 82.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.813 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.11 -41.7 88.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.122 0.487 . . . . 0.0 110.258 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 m -68.26 -43.17 78.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.541 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 44.0 mtp180 -66.75 -41.01 88.48 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 74' ' ' ILE . 68.0 tp -63.0 -43.7 98.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.065 177.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -59.16 -38.77 80.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.144 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.13 -39.67 97.46 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.036 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.576 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 66.3 mtm180 -71.36 -37.52 71.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.839 0.352 . . . . 0.0 110.263 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 70' ' ' LEU . 74.2 mt -60.62 -40.82 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.116 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.67 -44.29 81.25 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.831 176.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.21 -39.69 95.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.515 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 73' ' ' ARG . 61.0 t -67.72 -49.28 71.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.938 0.399 . . . . 0.0 110.759 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.55 -32.01 72.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.55 -47.56 85.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.246 0.546 . . . . 0.0 109.625 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -61.21 -43.91 98.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.294 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -60.39 -36.42 78.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.1 m -66.27 -44.21 84.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.61 -36.68 75.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.677 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.49 -24.95 63.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.705 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.89 26.31 13.05 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.49 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.425 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 15.3 m-85 -88.18 -6.28 57.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.272 0.558 . . . . 0.0 109.674 177.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.467 ' NH2' ' HB ' ' A' ' 47' ' ' VAL . 6.2 ptp180 -161.29 166.9 26.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.201 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.68 169.18 17.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.866 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.97 -123.56 7.88 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.707 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -125.93 170.5 11.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 58.7 t30 -101.36 91.95 2.39 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 0.0 111.193 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 37.9 Cg_endo -62.01 5.19 0.23 Allowed 'Trans proline' 0 N--CA 1.481 0.779 0 C-N-CA 124.338 3.359 . . . . 0.0 114.705 -171.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.54 -23.51 20.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -82.37 -48.23 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -174.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 67.36 144.29 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.568 0.699 . . . . 0.0 112.656 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -87.01 -30.58 21.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.661 0.743 . . . . 0.0 109.547 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.23 94.16 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.378 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.409 ' HD1' ' HG ' ' A' ' 99' ' ' LEU . 3.7 t80 -60.0 -63.2 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.316 . . . . 0.0 110.928 -174.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.409 ' HG ' ' HD1' ' A' ' 98' ' ' TYR . 91.1 mt -111.08 -53.81 2.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.117 0.484 . . . . 0.0 111.026 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -152.08 151.47 31.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.745 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -132.1 78.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.003 0.43 . . . . 0.0 110.923 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -79.73 85.49 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 62.74 -167.05 0.21 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -148.6 139.43 22.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -150.54 164.58 35.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.052 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 50.7 t60 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.008 176.131 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.96 0.41 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 55.9 p -96.45 169.05 10.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.158 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.89 -43.03 99.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.491 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.1 m -60.92 -46.82 89.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.037 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.6 mt-10 -61.12 -47.06 88.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.129 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.684 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 11.9 t -63.98 -46.6 83.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.774 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.29 77.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.391 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -59.72 -41.92 91.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.255 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 93.0 mt -61.07 -44.77 96.87 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.977 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -57.94 -47.12 83.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.383 0.611 . . . . 0.0 110.044 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -59.96 -48.84 86.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.033 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 92.9 mttt -62.15 -39.15 91.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.316 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.91 -25.46 65.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.949 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -123.21 20.09 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.859 0.362 . . . . 0.0 111.048 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 12' ' ' LYS . 8.8 ptm180 -75.37 -31.2 60.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.162 -173.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m -70.7 -22.62 62.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.147 0.499 . . . . 0.0 110.91 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -80.06 -24.28 40.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.84 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -94.93 47.24 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.441 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 34.2 tptt -123.1 125.35 45.01 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -175.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.547 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 47.0 t30 -114.79 90.59 3.38 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.588 8.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.8 p -134.11 162.29 32.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.908 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 22' ' ' LYS . 29.1 mtpp -95.31 31.03 2.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.835 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.44 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 60.1 m80 -64.29 -39.03 93.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.023 175.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.9 82.44 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.968 0.414 . . . . 0.0 110.55 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 9.9 t70 -62.44 -51.88 65.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.689 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 14.6 mm-40 -60.41 -38.49 84.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.924 -177.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.44 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 11.5 m95 -58.14 -51.26 70.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.39 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -69.1 -45.9 69.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.882 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 25' ' ' ASP . 8.7 t-20 -57.51 -44.28 84.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.706 -172.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 m -70.04 -50.16 44.04 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.857 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.28 -40.58 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.008 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -58.81 -37.07 75.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.425 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -81.88 -54.38 5.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.044 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.01 -50.16 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.6 m -85.98 -28.79 24.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.549 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -45.5 -63.92 2.55 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.658 -0.701 . . . . 0.0 114.34 -177.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.86 -17.72 14.54 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.052 2.501 . . . . 0.0 114.388 -176.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.9 t -117.43 -76.91 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.819 -176.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.554 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.9 pt -93.0 -2.64 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -171.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.65 -63.24 5.5 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.244 -0.503 . . . . 0.0 113.214 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.577 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 4.7 Cg_exo -77.8 5.31 5.37 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.933 2.422 . . . . 0.0 112.832 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 39' ' ' ILE . 72.6 mt -83.86 145.14 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 8.9 m -59.26 139.95 56.47 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 122.769 0.428 . . . . 0.0 111.016 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.85 -15.4 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 121.698 0.761 . . . . 0.0 110.538 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -86.78 -21.79 26.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.475 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -93.88 -31.28 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.118 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.546 ' HA ' HD12 ' A' ' 51' ' ' LEU . 92.5 t -53.34 110.5 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.86 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.9 174.32 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.766 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.602 ' O ' ' HG3' ' A' ' 53' ' ' MET . 4.8 m -66.37 -37.08 84.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.381 173.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -54.54 -46.55 73.62 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.055 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 47' ' ' VAL . 76.2 mt -65.3 -40.4 93.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.785 -177.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.594 HG21 HH11 ' A' ' 71' ' ' ARG . 82.9 mt -69.51 -33.99 59.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.31 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.2 mtt -54.78 -43.76 73.12 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 110.754 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.75 -38.01 89.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.016 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.66 -38.66 76.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.838 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.497 HD11 ' HD3' ' A' ' 71' ' ' ARG . 74.9 mt -77.53 -23.17 50.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.179 -175.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.598 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 15.1 t70 -45.23 -57.28 7.6 Favored Pre-proline 0 N--CA 1.472 0.657 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -175.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 56.0 Cg_endo -71.04 -10.5 27.63 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.194 1.929 . . . . 0.0 112.704 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.446 HD12 HD23 ' A' ' 56' ' ' LEU . 48.1 mt -88.56 -34.92 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.742 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -59.19 -31.23 68.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -70.61 -31.85 68.99 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -93.52 -61.54 1.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.169 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -145.93 87.11 6.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.898 -169.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.26 -35.26 98.87 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.819 2.346 . . . . 0.0 112.322 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -66.08 -38.66 88.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.977 0.417 . . . . 0.0 110.715 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.4 m -66.6 -36.94 83.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.173 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.29 98.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.1 m -62.97 -41.17 99.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.765 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.31 -32.47 73.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 74' ' ' ILE . 48.4 tp -69.08 -44.56 72.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.733 ' CZ ' ' HA ' ' A' ' 93' ' ' ALA . 12.3 mmm180 -63.87 -36.31 83.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.454 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.08 -39.49 97.18 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.911 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -71.51 -37.86 71.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.659 0.266 . . . . 0.0 110.792 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 70' ' ' LEU . 77.5 mt -63.16 -38.52 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.376 175.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.11 -48.1 71.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.624 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.2 m -62.4 -45.05 94.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.278 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.24 -49.36 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.287 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.519 HD13 ' HD2' ' A' ' 92' ' ' PRO . 81.7 mt -66.83 -36.87 83.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.369 -176.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.04 -42.41 63.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.66 -46.06 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.078 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.684 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -60.27 -35.59 75.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.081 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.507 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 49.0 m -65.8 -46.17 79.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.279 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.03 -39.58 84.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.985 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -73.18 -25.83 60.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.508 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.07 32.72 8.19 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.376 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -93.82 2.35 56.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.209 0.528 . . . . 0.0 110.156 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -167.46 -174.55 2.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.135 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -95.26 173.19 7.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.542 0.21 . . . . 0.0 110.622 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.507 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -83.29 110.76 3.31 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.942 -0.646 . . . . 0.0 113.859 -171.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -177.17 149.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.872 0.469 . . . . 0.0 110.012 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -121.7 88.09 46.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.519 ' HD2' HD13 ' A' ' 78' ' ' LEU . 16.2 Cg_exo -69.05 6.93 0.9 Allowed 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 123.544 2.83 . . . . 0.0 113.106 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.733 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -92.27 0.56 57.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -81.82 160.66 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.389 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.589 ' HZ2' ' HG2' ' A' ' 53' ' ' MET . 0.0 OUTLIER -159.71 118.77 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.723 0.297 . . . . 0.0 111.153 177.144 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -111.68 -15.76 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.048 175.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.79 98.4 0.18 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.789 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -146.94 -42.84 0.18 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.117 0.484 . . . . 0.0 110.116 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.4 mt -94.64 -51.71 4.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.691 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.824 ' HG2' ' H ' ' A' ' 101' ' ' HIS . 27.5 tt0 58.8 -163.86 0.21 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.824 ' H ' ' HG2' ' A' ' 100' ' ' GLU . 65.5 m80 65.25 176.02 0.21 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.849 0.46 . . . . 0.0 110.284 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 59.33 -161.51 0.26 Allowed 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.325 0.39 . . . . 0.0 110.248 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.3 t60 59.75 82.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.111 0.564 . . . . 0.0 112.019 171.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.89 153.1 32.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.788 0.327 . . . . 0.0 110.245 172.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -132.4 -32.82 1.31 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 C--O 1.246 0.921 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 173.159 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 tpp . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.3 p -89.34 167.92 12.66 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.468 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -64.94 -42.7 94.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.197 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.1 m -62.52 -46.19 89.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.3 mt-10 -62.59 -48.05 81.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.07 -43.89 97.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.611 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.97 88.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.717 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.84 86.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.032 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 91.1 mt -62.34 -43.27 99.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.468 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.3 -44.19 92.53 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.03 0.443 . . . . 0.0 110.472 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.467 HD13 ' OG1' ' A' ' 28' ' ' THR . 92.5 mt -63.93 -46.18 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.62 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.3 mttt -70.91 -33.87 70.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.25 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.16 73.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.896 0.379 . . . . 0.0 110.469 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -105.73 14.75 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.856 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.62 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 19.7 ptt180 -64.95 -33.05 75.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 110.142 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -67.94 -34.32 76.37 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.174 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 m -73.27 -35.2 66.14 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.25 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -98.27 32.53 2.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.95 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 60.7 tttp -114.34 114.53 26.02 Favored 'General case' 0 CA--C 1.498 -1.038 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 56.4 t30 -123.32 103.88 8.78 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.726 7.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.3 p -122.21 153.54 38.69 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.951 175.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -83.69 2.27 38.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.972 0.891 . . . . 0.0 109.121 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -54.83 -34.01 62.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 113.888 -1.506 . . . . 0.0 110.826 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.14 -47.0 66.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.118 0.485 . . . . 0.0 111.126 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.59 -46.2 80.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.752 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.85 -39.53 81.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.361 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.592 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 2.0 m95 -60.6 -49.21 78.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.614 175.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.467 ' OG1' HD13 ' A' ' 11' ' ' ILE . 12.9 m -60.31 -49.39 77.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.595 -178.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.57 -48.91 79.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.483 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -63.09 -44.21 96.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.78 0.324 . . . . 0.0 111.305 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.47 -43.7 94.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.771 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -64.13 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -80.29 -53.73 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.903 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -80.55 -50.15 10.38 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.7 m -82.79 -25.35 32.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.498 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.491 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -47.76 -65.82 2.25 Favored Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.73 0.644 . . . . 0.0 114.292 -175.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.91 -25.01 74.18 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.731 2.288 . . . . 0.0 114.211 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 t -95.36 -51.22 11.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -172.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' A' ' 42' ' ' LEU . 28.1 pt -129.31 5.48 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.79 -64.84 3.84 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 116.388 -0.369 . . . . 0.0 113.752 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 3.4 Cg_exo -76.68 5.34 4.88 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.747 2.298 . . . . 0.0 112.585 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 39' ' ' ILE . 69.1 mt -86.47 159.63 19.25 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.591 ' OG ' ' HG2' ' A' ' 45' ' ' GLN . 15.2 t -64.87 142.06 58.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.533 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.556 HG22 ' HD2' ' A' ' 87' ' ' ARG . 14.5 p -64.53 -23.22 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.181 0.515 . . . . 0.0 110.585 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.591 ' HG2' ' OG ' ' A' ' 43' ' ' SER . 13.9 pt20 -87.96 -17.68 30.74 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 32.8 t70 -89.75 -17.11 28.86 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.873 0.368 . . . . 0.0 111.503 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.546 ' HA ' HD12 ' A' ' 51' ' ' LEU . 97.4 t -69.67 115.23 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.637 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -113.67 173.32 6.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.881 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -60.38 -37.42 80.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 33.0 ttmt -54.5 -45.34 73.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.746 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 47' ' ' VAL . 87.4 mt -67.67 -40.86 84.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.751 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.56 HG21 HH22 ' A' ' 71' ' ' ARG . 79.1 mt -64.19 -41.61 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.592 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.24 -34.6 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.654 0.264 . . . . 0.0 110.935 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 55.9 mtpt -65.42 -38.0 88.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.682 177.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 51' ' ' LEU . 44.6 t -70.07 -46.01 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.232 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.87 -31.91 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.605 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 15.1 t70 -49.93 -57.23 13.12 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -174.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 46.7 Cg_endo -70.0 -14.28 35.12 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.177 1.918 . . . . 0.0 113.116 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mt -77.11 -34.96 22.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.213 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -61.25 -28.52 69.23 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.122 0.487 . . . . 0.0 110.668 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.45 -39.11 91.64 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.018 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -101.7 -54.48 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.157 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -139.51 84.99 15.46 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.008 -171.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.37 -39.46 66.64 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.892 2.395 . . . . 0.0 113.225 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.65 -38.68 84.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.187 0.518 . . . . 0.0 110.057 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -67.76 -35.82 79.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.336 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.98 99.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.577 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 m -65.22 -42.4 93.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.617 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.47 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 95.9 mtt180 -65.39 -45.46 83.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.118 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.32 -34.85 78.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.365 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.686 ' NH2' ' HA ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -56.45 -49.31 74.97 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.523 -179.238 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.09 91.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.517 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.592 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 98.1 mtt180 -61.56 -46.54 89.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.2 mt -59.41 -40.85 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.612 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.67 -47.44 86.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.396 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.3 m -62.08 -41.87 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.198 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.31 -47.75 71.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.328 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.49 HD13 ' HG2' ' A' ' 92' ' ' PRO . 70.1 mt -64.24 -39.74 94.57 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.4 -46.29 90.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.243 0.544 . . . . 0.0 109.616 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -58.87 -51.12 71.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.749 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.27 73.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.769 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 26.9 m -67.59 -38.74 84.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.899 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.8 t -77.96 -33.62 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -71.46 -25.21 62.2 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.593 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.14 24.01 8.75 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.957 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -94.11 -12.06 29.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.134 0.492 . . . . 0.0 110.181 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.556 ' HD2' HG22 ' A' ' 44' ' ' VAL . 8.5 ptm180 -164.18 152.77 13.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.691 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -121.28 171.8 8.47 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.75 -146.88 16.5 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.614 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -105.03 -172.16 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.432 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 56.7 t-20 -103.16 94.7 5.84 Favored Pre-proline 0 C--N 1.322 -0.608 0 C-N-CA 123.067 0.547 . . . . 0.0 109.989 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.49 ' HG2' HD13 ' A' ' 78' ' ' LEU . 13.9 Cg_endo -54.08 -11.51 2.75 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.043 2.495 . . . . 0.0 113.543 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.686 ' HA ' ' NH2' ' A' ' 71' ' ' ARG . . . -86.83 -10.98 52.2 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.222 0.534 . . . . 0.0 110.909 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -81.16 133.51 35.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.52 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.527 ' C ' ' H ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -129.46 -41.39 1.37 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.864 -175.146 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 58.54 -29.95 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.215 1.006 . . . . 0.0 113.608 -170.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 95' ' ' TRP . . . -142.09 87.76 0.18 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.529 ' HD1' ' H ' ' A' ' 98' ' ' TYR . 3.1 p90 -78.16 -173.38 3.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.318 0.118 . . . . 0.0 111.318 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -42.77 -66.6 0.35 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.605 0.762 . . . . 0.0 112.803 -172.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -147.06 129.15 15.54 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -71.49 113.14 8.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.927 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -121.77 143.24 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.825 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -169.1 117.13 0.64 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.711 0.291 . . . . 0.0 110.438 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -119.78 151.57 38.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -163.67 124.75 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.7 t60 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.189 -178.271 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttm . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.823 0.344 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.8 p -89.19 169.59 11.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.061 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.415 ' HA ' HG23 ' A' ' 44' ' ' VAL . 81.8 t80 -62.77 -40.24 96.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.789 0.328 . . . . 0.0 110.684 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m -61.92 -45.18 94.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 54.0 mt-10 -62.94 -47.25 84.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.871 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 44.4 t -61.93 -49.02 77.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.968 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.89 -45.97 74.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.864 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.3 85.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.059 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 83.0 mt -64.54 -45.47 87.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.732 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -58.83 -45.02 90.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.176 0.512 . . . . 0.0 110.091 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.474 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 94.8 mt -59.86 -49.26 84.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.963 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 58.3 mtpt -64.2 -34.93 79.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.791 0.329 . . . . 0.0 111.359 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -18.06 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.798 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -127.19 16.53 7.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.586 0.231 . . . . 0.0 111.201 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.495 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 17.3 mmt180 -56.16 -45.9 79.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.389 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 m -76.03 -20.05 58.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.141 0.496 . . . . 0.0 111.51 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.1 m -76.89 -40.71 46.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.057 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.519 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.6 m0 -89.74 -0.14 57.36 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.529 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.829 ' HA ' ' HB2' ' A' ' 20' ' ' ASN . 62.2 mttp 77.56 148.78 0.1 Allowed 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 -165.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.829 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 20.7 m120 71.25 11.68 6.78 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.899 2.08 . . . . 0.0 107.958 31.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.5 p -153.0 -172.14 4.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 113.293 -1.776 . . . . 0.0 107.949 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -79.48 9.45 4.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -62.4 -43.4 98.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.732 0.301 . . . . 0.0 110.464 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.79 88.7 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.278 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.63 -47.4 81.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.5 -36.63 78.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.048 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -64.4 -48.59 74.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.032 0.444 . . . . 0.0 110.78 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 m -69.24 -48.49 61.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.403 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -55.85 -49.29 73.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.714 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -60.98 -48.29 82.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.785 0.326 . . . . 0.0 111.274 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.15 -42.67 85.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.667 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -58.63 -39.34 80.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.205 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.5 m -82.28 -53.67 5.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.413 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -80.31 -49.58 11.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -173.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.9 m -79.66 -20.42 46.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.082 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.84 -65.22 3.34 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.74 -0.664 . . . . 0.0 114.044 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.85 -15.43 50.29 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.562 2.175 . . . . 0.0 113.325 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 39' ' ' ILE . 22.9 t -95.2 -65.79 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.717 0.294 . . . . 0.0 111.379 -176.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.513 HG23 HG12 ' A' ' 38' ' ' VAL . 28.8 pt -123.77 5.13 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.691 -174.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.09 -63.84 4.8 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 116.187 -0.461 . . . . 0.0 114.01 -176.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.78 5.45 6.16 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.618 2.212 . . . . 0.0 113.214 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 39' ' ' ILE . 82.6 mt -84.59 158.47 20.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 44.1 t -55.82 135.3 51.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.065 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.869 HG22 HH21 ' A' ' 87' ' ' ARG . 3.2 p -73.5 -6.66 8.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.319 0.581 . . . . 0.0 109.913 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.674 ' HG3' ' HB2' ' A' ' 87' ' ' ARG . 9.9 tt0 -93.39 -26.17 17.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.149 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 22.9 m-20 -95.44 23.68 5.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.796 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.98 106.37 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 52' ' ' ILE . 46.8 m-20 -93.76 168.82 10.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.385 -177.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' HG3' ' A' ' 53' ' ' MET . 3.7 p -60.37 -45.19 94.42 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.025 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -55.94 -43.55 77.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.81 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.53 -42.47 95.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.187 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.529 ' HB ' ' HH2' ' A' ' 95' ' ' TRP . 62.2 mt -65.3 -37.35 79.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.51 ' HG2' ' HE1' ' A' ' 98' ' ' TYR . 67.7 mtt -59.72 -35.89 75.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.756 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.05 -37.46 78.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.174 177.685 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.81 -44.13 99.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.003 0.43 . . . . 0.0 110.458 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' A' ' 59' ' ' ILE . 93.5 mt -76.33 -24.18 54.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.69 -177.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.613 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.8 t70 -46.58 -59.73 4.69 Favored Pre-proline 0 N--CA 1.471 0.588 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.537 -174.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 80.5 Cg_endo -74.57 -11.11 22.29 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.086 1.858 . . . . 0.0 112.933 -175.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 56' ' ' LEU . 32.3 mt -76.75 -29.74 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.765 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -68.2 -14.97 63.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.065 0.46 . . . . 0.0 110.746 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -81.1 -27.44 35.59 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.66 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -104.35 -62.67 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.695 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -139.98 87.37 12.6 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 -173.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -50.86 -46.0 32.86 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.48 2.786 . . . . 0.0 113.779 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 48.2 mt-10 -65.45 -39.41 92.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.968 0.413 . . . . 0.0 110.865 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.2 m -67.93 -32.69 73.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.569 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.59 68.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.934 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.9 p -66.04 -34.87 79.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.444 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 68.7 mtp180 -73.59 -34.45 65.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.338 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.04 -38.72 89.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -60.02 -35.97 76.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.794 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.71 -37.16 93.09 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.977 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 77' ' ' VAL . 99.4 mtt180 -64.09 -49.07 73.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.0 mt -59.93 -44.85 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.112 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.9 -48.0 79.23 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.712 0.292 . . . . 0.0 110.432 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -63.93 -42.55 97.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.233 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 73' ' ' ARG . 95.6 t -66.27 -49.11 78.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.706 HD12 ' HB2' ' A' ' 93' ' ' ALA . 21.5 mt -67.94 -40.14 83.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.228 -177.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.46 -38.41 80.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.259 0.552 . . . . 0.0 110.151 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 76.5 t90 -58.44 -51.24 70.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.435 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.465 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -67.46 -33.12 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -65.76 -42.69 90.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.3 t -70.16 -36.02 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.609 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 22.9 mmm-85 -67.17 -24.95 65.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.811 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.28 39.76 7.2 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.209 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -95.2 3.33 54.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.0 110.619 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.869 HH21 HG22 ' A' ' 44' ' ' VAL . 11.8 ptp85 -162.72 -174.69 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 9.5 tp10 -69.68 164.86 22.51 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.385 0.428 . . . . 0.0 109.944 172.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.83 -178.65 6.59 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 114.112 0.405 . . . . 0.0 114.112 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.2 t0 66.78 164.53 0.2 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.16 0.984 . . . . 0.0 112.005 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.474 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 44.3 t30 -134.91 90.91 20.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.655 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 11.6 Cg_endo -54.74 -18.22 15.39 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.361 2.707 . . . . 0.0 113.625 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.706 ' HB2' HD12 ' A' ' 78' ' ' LEU . . . -71.41 -18.8 62.32 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.041 0.448 . . . . 0.0 110.842 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -91.53 130.77 37.3 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.428 0.632 . . . . 0.0 109.824 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.529 ' HH2' ' HB ' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -125.27 -42.1 2.01 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.807 -175.411 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 58.63 -60.61 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.979 0.8 . . . . 0.0 111.239 -165.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.77 51.98 1.05 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.494 -0.384 . . . . 0.0 112.305 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.51 ' HE1' ' HG2' ' A' ' 53' ' ' MET . 59.8 t80 -72.03 -54.8 8.78 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.8 mt -87.14 -76.89 0.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.16 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.48 -58.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.782 174.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -119.67 -179.4 3.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.306 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -129.3 -55.64 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.4 m170 65.04 36.23 7.54 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.463 0.477 . . . . 0.0 110.497 -172.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.07 116.47 13.64 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.842 0.353 . . . . 0.0 110.333 -178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.18 98.14 0.06 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.301 -177.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 . . . . . 0 C--O 1.244 0.802 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.407 178.264 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 tpp . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.748 0.308 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.4 p -93.66 169.24 10.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -67.14 -40.24 86.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -58.34 -47.54 83.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.393 . . . . 0.0 110.996 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.1 mt-10 -63.4 -49.25 74.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.961 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 9.7 t -64.09 -45.15 89.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.887 -175.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.02 92.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.538 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.21 95.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.763 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 95.1 mt -60.82 -43.46 98.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.82 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -59.5 -49.46 77.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.995 0.426 . . . . 0.0 110.761 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.7 mt -66.36 -48.4 81.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.436 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.0 mtpt -66.87 -33.84 76.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.548 -176.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.26 4.18 15.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 0.0 111.26 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -132.09 4.02 4.07 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.405 -0.185 . . . . 0.0 111.182 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 23.1 ptt180 -67.76 -27.57 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.474 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -70.98 -25.9 62.91 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.27 0.557 . . . . 0.0 110.387 176.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 m -84.27 -16.19 44.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -104.81 44.06 1.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.745 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HD3' HG23 ' A' ' 21' ' ' THR 0.324 44.9 mtpt 75.1 -154.93 0.04 OUTLIER 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 117.453 -1.261 . . . . 0.0 110.779 174.086 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.489 ' C ' ' HB3' ' A' ' 19' ' ' LYS . 94.9 m-20 -49.2 92.6 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 121.117 3.747 . . . . 0.0 121.117 70.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.573 HG23 ' HD3' ' A' ' 19' ' ' LYS . 1.1 p -142.16 161.2 38.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 112.855 -1.975 . . . . 0.0 108.982 155.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -73.51 0.5 12.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -174.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -54.31 -46.99 72.93 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.41 91.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.346 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.52 -44.11 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.54 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.86 -41.12 90.79 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.446 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -55.36 -48.72 73.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.006 0.432 . . . . 0.0 110.139 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -62.3 -50.83 70.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.113 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.44 -47.92 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.38 -173.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m -65.62 -50.22 65.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.787 0.327 . . . . 0.0 111.338 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.24 -42.86 88.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.116 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 12.5 tmtt? -58.96 -34.05 71.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.242 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.6 m -81.05 -52.39 7.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.879 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -78.8 -49.23 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -173.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.4 m -104.45 -10.33 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.703 -172.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.36 -65.53 3.34 Favored Glycine 0 CA--C 1.521 0.422 0 O-C-N 123.513 0.508 . . . . 0.0 113.597 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.31 -14.27 43.01 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.64 2.227 . . . . 0.0 113.001 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.622 HG11 HG22 ' A' ' 55' ' ' VAL . 33.0 t -91.8 -67.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.653 0.263 . . . . 0.0 111.268 -175.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.432 HG23 HG12 ' A' ' 38' ' ' VAL . 31.6 pt -114.45 3.12 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -173.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.55 -64.2 4.53 Favored Glycine 0 CA--C 1.524 0.602 0 CA-C-N 116.272 -0.422 . . . . 0.0 113.532 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.29 2.14 4.11 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.073 2.515 . . . . 0.0 113.243 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 39' ' ' ILE . 87.7 mt -86.17 161.16 18.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.8 m -66.94 131.99 47.02 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.516 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.647 HG22 ' HD2' ' A' ' 87' ' ' ARG . 14.4 p -64.73 -24.68 36.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.33 0.585 . . . . 0.0 111.092 -176.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.488 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 25.0 pt20 -78.19 -19.47 53.84 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.82 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.86 -5.71 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.157 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.32 111.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.056 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -126.79 168.66 14.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.174 -176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -34.17 64.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.868 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -58.37 -45.88 87.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.248 0.547 . . . . 0.0 110.927 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 55' ' ' VAL . 91.8 mt -71.46 -38.93 71.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.223 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.556 HG23 HH11 ' A' ' 71' ' ' ARG . 83.9 mt -63.75 -41.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.631 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.9 mtt -63.61 -43.94 95.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.804 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -38.3 83.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.813 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.622 HG22 HG11 ' A' ' 38' ' ' VAL . 57.8 t -67.44 -44.58 86.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.919 0.39 . . . . 0.0 110.881 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.864 HD11 ' HD2' ' A' ' 71' ' ' ARG . 72.2 mt -79.32 -23.84 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.489 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.618 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.8 t70 -42.09 -57.61 4.13 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -173.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 89.3 Cg_endo -76.18 -13.27 19.08 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.937 1.758 . . . . 0.0 113.074 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.9 mt -84.75 -36.01 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.856 -0.156 . . . . 0.0 111.226 -173.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.414 ' CZ2' HD13 ' A' ' 56' ' ' LEU . 78.1 m95 -57.54 -29.65 64.55 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.816 0.341 . . . . 0.0 111.068 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.55 -59.69 4.31 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.403 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -80.64 -55.49 4.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.607 -173.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.497 ' HE2' ' OG1' ' A' ' 66' ' ' THR . 50.7 mtpt -135.02 79.73 50.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.909 0.385 . . . . 0.0 110.76 -174.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.6 -47.15 7.79 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.82 2.347 . . . . 0.0 112.906 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -64.88 -32.05 73.57 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 120.809 0.338 . . . . 0.0 111.366 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.497 ' OG1' ' HE2' ' A' ' 63' ' ' LYS . 7.9 m -70.32 -32.74 70.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.928 0.394 . . . . 0.0 110.404 177.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.718 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -62.64 -39.79 94.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.181 175.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.0 m -63.53 -39.44 94.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.459 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.61 -40.02 90.33 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.822 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.7 tp -72.71 -37.09 67.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.86 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.864 ' HD2' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -67.48 -38.99 85.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.201 -175.195 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.65 -34.03 84.69 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.59 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.407 ' O ' HG23 ' A' ' 77' ' ' VAL . 98.6 mtt180 -66.19 -49.53 66.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.401 . . . . 0.0 110.222 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.847 HD12 HH21 ' A' ' 71' ' ' ARG . 28.8 mt -65.19 -36.64 78.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.124 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -52.45 -47.48 66.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.06 0.457 . . . . 0.0 110.419 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -64.27 -37.54 87.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.074 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 73' ' ' ARG . 58.6 t -65.84 -48.8 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.708 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.72 -36.87 84.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.093 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.36 -47.43 70.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.569 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -58.88 -45.19 90.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.774 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.431 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -61.14 -34.43 74.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.405 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 27.3 m -64.98 -42.85 94.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.512 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.02 -40.44 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.487 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -71.92 -25.7 62.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.923 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.89 4.46 54.38 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.845 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -71.66 -26.05 62.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.108 0.48 . . . . 0.0 110.383 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.647 ' HD2' HG22 ' A' ' 44' ' ' VAL . 7.2 ptm180 -147.82 150.78 34.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.01 160.71 33.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.975 0.417 . . . . 0.0 110.698 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.11 -120.78 3.0 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -175.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -138.68 -165.21 1.78 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.39 87.64 17.16 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-O 120.632 0.253 . . . . 0.0 110.402 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.34 -6.39 16.24 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.991 2.46 . . . . 0.0 113.088 -176.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.52 2.32 55.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.453 . . . . 0.0 110.592 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -87.93 -46.57 9.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.273 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 63.75 179.93 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.765 0.793 . . . . 0.0 112.608 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -125.57 27.51 6.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.017 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.07 -53.96 0.8 Allowed Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.652 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.545 ' CD2' ' HG ' ' A' ' 99' ' ' LEU . 60.5 t80 65.02 -79.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.562 0.745 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 98' ' ' TYR . 85.6 mt -84.2 -56.88 3.42 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 55.36 38.36 30.21 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.768 0.794 . . . . 0.0 110.099 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.41 97.35 3.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.399 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -104.78 108.09 19.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.445 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -139.8 129.86 24.99 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.947 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -109.63 124.31 50.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.103 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -67.29 153.31 43.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.443 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.081 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.535 ' O ' ' HA ' ' A' ' 43' ' ' SER . 47.7 tpp . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 68.6 p -87.54 162.17 17.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.54 -37.9 88.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 m -60.83 -46.06 92.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.582 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 29.1 mt-10 -62.44 -49.07 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.163 0.506 . . . . 0.0 111.243 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.406 ' HA ' HD12 ' A' ' 9' ' ' LEU . 7.2 t -64.56 -42.24 95.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.992 -176.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.77 99.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.668 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.41 81.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 95.3 mt -60.54 -49.39 77.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.654 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -57.67 -49.89 74.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.747 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.57 -49.32 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.458 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 37.2 ttpt -63.45 -34.7 78.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.707 0.289 . . . . 0.0 111.165 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.61 -14.87 62.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.444 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -116.57 -2.01 12.06 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 32.6 ptt180 -69.98 -27.84 65.04 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.155 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -67.81 -23.52 65.19 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.874 0.368 . . . . 0.0 111.219 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 t -81.6 -14.91 56.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.054 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -114.2 48.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.876 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.903 ' HB2' HG23 ' A' ' 21' ' ' THR 0.326 64.5 mttm 75.43 -152.03 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 116.858 -1.544 . . . . 0.0 110.03 -177.854 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.562 ' C ' ' HB3' ' A' ' 19' ' ' LYS . 17.3 t-20 -52.41 94.77 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 120.688 3.588 . . . . 0.0 120.688 67.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.903 HG23 ' HB2' ' A' ' 19' ' ' LYS . 31.5 p -108.91 -176.73 3.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 113.791 -1.549 . . . . 0.0 108.539 158.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 22' ' ' LYS . 25.6 mtpp -92.62 6.11 48.52 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.713 170.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -66.6 -52.53 44.27 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.95 77.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.399 0.618 . . . . 0.0 110.072 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.32 -51.12 65.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.364 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.61 -38.46 90.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.775 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -55.04 -47.96 74.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.212 0.53 . . . . 0.0 110.1 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m -67.59 -50.49 58.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.955 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -55.26 -46.72 76.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.592 0.357 . . . . 0.0 111.503 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.1 m -63.55 -52.05 62.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.354 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.02 -41.83 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.092 0.472 . . . . 0.0 110.635 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.16 -36.11 74.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.719 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.5 m -79.84 -52.49 7.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.955 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -78.75 -45.63 20.68 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.5 m -95.41 -13.04 24.99 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.68 -172.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.41 -63.31 5.19 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-N 115.886 -0.597 . . . . 0.0 113.705 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -57.75 -26.22 72.26 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.981 2.454 . . . . 0.0 113.744 -176.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.0 t -95.41 -72.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 42' ' ' LEU . 25.4 pt -105.53 6.04 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 111.579 0.215 . . . . 0.0 111.579 -172.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -57.05 -64.91 3.97 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 116.091 -0.504 . . . . 0.0 113.596 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.05 0.28 10.01 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.489 2.126 . . . . 0.0 112.992 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 39' ' ' ILE . 79.3 mt -84.14 159.85 20.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 45.9 t -65.82 141.34 58.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.812 0.339 . . . . 0.0 110.416 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.614 HG22 ' HD2' ' A' ' 87' ' ' ARG . 10.3 p -65.18 -19.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.273 0.558 . . . . 0.0 110.118 176.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -84.48 -28.56 26.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.98 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.538 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 13.9 t70 -77.97 -22.54 49.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.037 -176.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 43' ' ' SER . 61.5 t -58.08 104.7 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 121.145 0.497 . . . . 0.0 110.748 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -106.95 166.59 10.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.699 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 53' ' ' MET . 27.2 m -58.29 -36.9 74.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.227 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -62.06 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 0.0 110.099 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 55' ' ' VAL . 91.5 mt -67.87 -38.59 83.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.16 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.501 HG23 HH11 ' A' ' 71' ' ' ARG . 59.1 mt -57.86 -40.01 74.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.086 177.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.5 mtt -63.28 -43.62 97.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -60.38 -38.15 83.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.112 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 51' ' ' LEU . 53.7 t -67.74 -41.05 84.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.362 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.831 HD11 ' HD2' ' A' ' 71' ' ' ARG . 35.6 mt -74.97 -24.38 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.577 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.0 t70 -48.94 -55.12 22.02 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -174.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 71.1 Cg_endo -75.48 -20.69 15.7 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.004 1.803 . . . . 0.0 112.836 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.557 HG22 ' HB2' ' A' ' 67' ' ' ALA . 48.1 mt -78.03 -39.5 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.286 -174.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.419 ' NE1' ' HB3' ' A' ' 56' ' ' LEU . 81.5 m95 -60.48 -28.47 68.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.042 0.448 . . . . 0.0 111.239 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.27 -26.94 47.33 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.16 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -95.03 -61.89 1.41 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.578 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -131.75 85.58 51.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.729 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.06 -49.59 12.3 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.714 2.276 . . . . 0.0 113.206 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -63.76 -39.21 93.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.242 0.544 . . . . 0.0 110.099 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.8 m -71.09 -32.91 69.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.724 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.557 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -60.15 -43.01 96.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.42 . . . . 0.0 110.348 175.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.9 t -63.99 -47.37 80.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.13 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 77.7 mtt-85 -64.15 -44.74 91.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.39 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.53 -41.88 91.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.831 ' HD2' HD11 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -67.73 -40.14 84.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.398 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.65 -39.47 97.58 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.294 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 98.0 mtt180 -64.23 -40.35 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.987 0.423 . . . . 0.0 110.186 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.744 HD12 HH21 ' A' ' 71' ' ' ARG . 36.4 mt -67.73 -37.72 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.092 177.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -54.01 -44.6 71.07 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.7 t -61.41 -44.44 97.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.2 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 73' ' ' ARG . 92.4 t -61.62 -47.07 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 178.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.472 HD13 ' HD2' ' A' ' 92' ' ' PRO . 90.8 mt -62.98 -38.96 93.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.52 -48.56 79.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.192 0.52 . . . . 0.0 110.179 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -62.88 -44.9 94.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.605 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.14 88.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.668 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -69.02 -39.32 79.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.507 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.12 -42.19 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.49 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -67.79 -26.04 65.89 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 176.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.61 19.22 38.49 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.79 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -82.88 -17.05 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.513 0.673 . . . . 0.0 109.41 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.614 ' HD2' HG22 ' A' ' 44' ' ' VAL . 8.1 ptm180 -147.86 153.02 38.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.789 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -127.9 160.79 30.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.719 0.295 . . . . 0.0 110.642 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.36 -121.55 4.72 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.804 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.635 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 7.6 t70 -141.25 -164.08 1.69 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.403 ' H ' ' CG ' ' A' ' 90' ' ' ASP . 8.5 m-80 -106.37 88.06 3.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 123.002 0.521 . . . . 0.0 110.798 -177.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.635 ' HD3' ' O ' ' A' ' 90' ' ' ASP . 19.2 Cg_exo -65.81 -13.17 38.55 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.089 2.526 . . . . 0.0 113.149 -174.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.44 7.04 44.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.381 . . . . 0.0 110.923 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -100.61 -51.39 3.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.394 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.425 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 3.3 m-90 69.17 154.63 0.12 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 122.0 0.905 . . . . 0.0 112.92 176.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -105.38 -23.51 12.83 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.865 170.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -173.24 91.59 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.609 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 17.2 t80 -96.04 -70.03 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.727 0.298 . . . . 0.0 110.667 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.7 mt -90.74 -48.78 6.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.951 0.405 . . . . 0.0 110.648 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -142.87 158.84 43.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.201 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -92.11 108.76 20.18 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -68.01 -44.3 76.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 68.16 131.17 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.878 0.736 . . . . 0.0 110.658 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -71.82 119.65 16.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.211 0.529 . . . . 0.0 110.716 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -164.16 -62.99 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.469 -0.787 . . . . 0.0 108.932 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 30.5 p80 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.141 170.432 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 tpp . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 63.3 p -94.2 160.0 14.88 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.205 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -66.41 -41.04 89.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.686 0.279 . . . . 0.0 110.288 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -59.32 -41.77 89.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.673 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 33.8 mt-10 -69.35 -46.19 67.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.065 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 14.8 t -63.95 -47.64 79.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.97 -178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.2 85.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.469 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.84 97.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.667 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 94.9 mt -60.56 -42.34 96.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.764 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -59.99 -49.1 78.98 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.106 0.479 . . . . 0.0 110.537 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.426 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 89.9 mt -66.35 -48.2 81.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.335 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 62.0 mtpt -63.19 -34.6 77.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.475 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.41 -27.08 66.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.172 0.511 . . . . 0.0 110.837 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -100.02 2.21 43.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.486 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 10.0 mmm180 -61.34 -33.62 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.221 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 m -68.42 -32.58 72.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.826 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -80.56 -32.96 36.49 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.924 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m0 -95.24 46.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.079 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 87.3 tttt -117.59 120.14 37.14 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 25.8 p30 -115.31 24.7 11.42 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.621 6.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.6 p -62.18 126.5 27.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.946 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -89.61 20.03 4.25 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -170.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.42 -26.23 67.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 168.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -36.0 66.14 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.129 0.49 . . . . 0.0 110.888 172.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.04 -44.17 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.118 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -58.67 -42.49 88.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.675 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -54.67 -51.45 65.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 175.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -63.14 -48.77 77.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.043 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -63.61 -44.81 92.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -175.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -62.76 -48.63 78.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.657 0.265 . . . . 0.0 111.338 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.56 -41.21 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.727 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 2.5 tmtp? -62.56 -33.52 75.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.993 0.425 . . . . 0.0 110.195 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.7 m -78.66 -52.4 8.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.806 0.336 . . . . 0.0 111.235 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -79.28 -49.39 12.54 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.5 m -96.57 -9.87 28.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.471 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.426 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -55.04 -70.34 0.99 Allowed Glycine 0 CA--C 1.52 0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 113.951 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.86 -12.74 36.6 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.724 2.283 . . . . 0.0 112.883 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 39' ' ' ILE . 38.5 t -89.55 -70.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.983 -176.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.522 HG23 HG12 ' A' ' 38' ' ' VAL . 29.4 pt -116.07 2.2 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.04 -64.25 4.53 Favored Glycine 0 CA--C 1.521 0.454 0 O-C-N 123.305 0.378 . . . . 0.0 113.459 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 5.9 Cg_exo -78.71 5.25 5.74 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.73 2.287 . . . . 0.0 112.931 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 39' ' ' ILE . 78.5 mt -87.64 154.59 20.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.7 OUTLIER -60.13 143.54 52.03 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 177.422 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.8 p -66.14 -22.17 29.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.167 0.508 . . . . 0.0 110.105 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -84.0 -19.72 34.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.071 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.75 -26.02 37.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.992 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.86 110.57 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.232 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -122.04 -175.19 3.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.586 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 m -62.26 -39.55 93.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.687 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -45.08 90.49 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.724 0.297 . . . . 0.0 110.37 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 55' ' ' VAL . 82.0 mt -63.36 -41.36 98.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.795 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.24 -40.94 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.555 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.1 mtt -60.94 -39.36 89.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.993 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 7.8 mmpt? -68.97 -37.64 78.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.333 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 51' ' ' LEU . 84.8 t -58.1 -40.99 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.956 0.408 . . . . 0.0 110.63 176.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.557 HD11 HH11 ' A' ' 71' ' ' ARG . 35.0 mt -79.47 -24.42 42.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.084 -177.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.655 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 9.4 t70 -45.16 -59.19 4.58 Favored Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -172.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 90.1 Cg_endo -75.41 -21.88 14.67 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.043 1.829 . . . . 0.0 113.068 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.22 -29.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.54 -171.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -63.12 -29.08 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.638 0.256 . . . . 0.0 111.561 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -80.6 -22.78 40.33 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.976 0.417 . . . . 0.0 111.402 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -100.14 -59.99 1.61 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.867 -178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -143.13 85.47 9.71 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.805 -174.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -61.04 -36.77 80.62 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.549 2.166 . . . . 0.0 112.172 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -64.08 -44.56 92.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.703 179.391 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 m -71.19 -32.32 68.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.764 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.25 -39.43 82.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.097 0.475 . . . . 0.0 110.332 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 m -68.32 -36.66 79.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.63 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 64.3 mtp180 -68.93 -45.5 70.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.774 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.97 -34.32 75.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.25 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.557 HH11 HD11 ' A' ' 56' ' ' LEU . 2.4 tpm_? -55.64 -48.66 74.6 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.421 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.67 74.56 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.683 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' O ' HG23 ' A' ' 77' ' ' VAL . 97.1 mtt180 -64.47 -45.27 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.611 0.243 . . . . 0.0 110.749 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.01 -38.85 82.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.66 0.267 . . . . 0.0 110.667 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -56.0 -45.54 79.0 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.9 m -60.55 -41.99 95.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.006 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 73' ' ' ARG . 61.3 t -68.87 -47.25 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.799 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.42 -38.8 92.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.423 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.76 -40.89 92.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.0 0.428 . . . . 0.0 110.104 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -60.4 -44.77 95.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.889 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -63.57 -30.75 71.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.938 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' HA2' ' A' ' 89' ' ' GLY . 57.9 m -69.27 -34.98 75.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.67 -41.87 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.132 0.491 . . . . 0.0 110.255 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -69.86 -23.48 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.369 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.61 31.43 13.17 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.831 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -88.58 -24.73 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.481 . . . . 0.0 110.216 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -140.96 174.22 10.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.309 172.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -72.42 172.78 9.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.741 0.305 . . . . 0.0 111.38 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.671 ' HA2' HG23 ' A' ' 82' ' ' THR . . . -73.84 22.17 1.2 Allowed Glycine 0 C--N 1.332 0.353 0 CA-C-N 115.822 -0.626 . . . . 0.0 113.844 -175.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -111.14 124.47 52.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.803 0.335 . . . . 0.0 110.218 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 57.1 t-20 -116.13 88.97 23.96 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.117 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.52 -8.75 15.83 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.049 2.499 . . . . 0.0 113.424 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.53 -10.23 56.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 91' ' ' ASN . 5.4 ppt_? -82.5 -29.55 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.149 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.526 ' NE1' ' HB3' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 66.31 153.73 0.08 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.911 0.757 . . . . 0.0 113.0 173.32 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -85.27 -32.14 22.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.764 171.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 145.6 64.88 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.707 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.526 ' HB3' ' NE1' ' A' ' 95' ' ' TRP . 13.6 t80 -125.46 148.16 48.94 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.7 mt 69.64 -38.49 0.41 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.853 0.861 . . . . 0.0 112.016 -174.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.27 132.07 37.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -72.12 143.19 49.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -87.75 -43.19 12.07 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -137.64 -76.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.601 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -114.45 -88.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.146 -0.222 . . . . 0.0 110.466 -172.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -93.7 -19.31 21.21 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 C--O 1.244 0.793 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.591 173.925 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 tpp . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.5 p -96.48 163.34 13.08 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.056 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.59 -41.44 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.713 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.5 m -62.86 -43.42 98.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.032 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -64.66 -47.71 77.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.965 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.9 t -61.88 -46.16 90.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.537 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.83 84.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.881 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.95 93.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.82 -46.32 91.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.358 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -58.02 -48.43 80.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.449 HG23 ' HZ3' ' A' ' 18' ' ' TRP . 98.5 mt -62.0 -49.91 82.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.26 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -70.43 -34.07 72.05 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.39 0.9 27.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -135.59 10.4 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.2 -0.313 . . . . 0.0 110.948 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -69.85 -16.65 63.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.919 -176.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -34.78 72.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.662 176.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 t -76.58 -18.99 58.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.14 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.449 ' HZ3' HG23 ' A' ' 11' ' ' ILE . 12.2 m0 -106.15 30.13 6.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.29 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 28.6 tptp -117.43 118.73 33.0 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.526 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 49.1 t30 -114.99 92.52 3.96 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 123.249 0.619 . . . . 0.0 110.82 9.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p -129.73 161.35 30.88 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.375 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 19.6 mmmt -77.42 1.78 18.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.453 177.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -59.41 -44.23 92.89 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.339 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.14 81.26 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.232 0.539 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.5 -45.49 62.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.148 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 13.3 mm-40 -62.97 -37.48 87.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.616 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -54.6 -51.37 65.53 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.2 m -60.84 -51.22 70.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.958 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -55.95 -46.02 78.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.814 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -64.17 -54.36 34.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.47 -40.23 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.706 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.53 -35.63 74.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.697 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -81.68 -53.07 6.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.162 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -80.29 -49.54 11.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -174.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -90.43 -19.12 24.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.568 0.223 . . . . 0.0 111.462 -173.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.91 -64.69 4.02 Favored Glycine 0 CA--C 1.523 0.58 0 CA-C-N 115.821 -0.627 . . . . 0.0 114.366 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -63.98 -19.86 67.1 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.538 2.159 . . . . 0.0 113.564 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.9 t -95.33 -72.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.519 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.7 pt -105.76 1.16 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.273 -173.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.86 -63.17 5.49 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.52 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -76.03 5.35 4.55 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.792 2.328 . . . . 0.0 113.254 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 39' ' ' ILE . 86.6 mt -89.05 153.58 20.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.55 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 15.7 m -62.3 141.75 58.11 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.128 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.82 -26.29 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 111.291 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -80.78 -21.45 40.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.009 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 0.7 OUTLIER -86.91 4.3 42.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.626 -177.436 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.5 105.01 4.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -101.05 170.23 8.41 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.543 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 53' ' ' MET . 0.0 OUTLIER -65.94 -35.5 80.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.8 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 9.1 tmtt? -61.24 -42.09 98.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.927 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.27 -38.44 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.832 HD13 HH12 ' A' ' 71' ' ' ARG . 91.5 mt -62.05 -38.66 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.784 177.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.7 mtt -60.42 -39.07 86.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.595 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -60.54 -37.73 82.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.5 t -72.9 -45.44 55.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.254 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.28 -35.59 63.76 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -172.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.58 ' HA ' ' HD1' ' A' ' 60' ' ' TRP . 18.8 t70 -48.4 -56.62 13.59 Favored Pre-proline 0 N--CA 1.473 0.723 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -173.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 28.3 Cg_endo -65.79 -21.2 58.4 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.238 1.959 . . . . 0.0 113.007 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.0 mt -79.24 -28.11 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.312 . . . . 0.0 110.696 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.58 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 87.4 m95 -59.74 -30.39 68.8 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.147 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.27 -20.11 60.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.961 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -110.29 -56.26 2.36 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.498 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -138.72 85.49 16.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.863 -174.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.69 -46.05 22.27 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.759 2.306 . . . . 0.0 112.546 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 57.4 mm-40 -61.91 -42.85 99.57 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 121.128 0.49 . . . . 0.0 110.703 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -71.15 -33.66 70.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.839 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.37 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 0.0 110.249 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -68.24 -37.75 81.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.798 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 70.1 mtp180 -74.24 -39.77 62.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.569 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.417 HD12 ' HD2' ' A' ' 73' ' ' ARG . 67.0 tp -64.16 -34.23 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.396 0.617 . . . . 0.0 109.841 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.832 HH12 HD13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -54.84 -38.92 68.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.976 175.291 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.69 -30.42 77.89 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.598 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' HD2' HD12 ' A' ' 70' ' ' LEU . 91.1 mtt180 -67.76 -34.51 76.96 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.65 -42.95 96.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.852 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -56.68 -44.65 81.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.414 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.1 m -58.95 -42.19 89.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.881 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.9 t -72.22 -48.67 47.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.452 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.496 ' HB2' HD21 ' A' ' 91' ' ' ASN . 60.8 mt -63.78 -44.65 92.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.01 -37.72 83.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.233 0.539 . . . . 0.0 110.206 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -65.43 -39.53 92.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.852 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -64.28 -34.05 77.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.096 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 88' ' ' GLU . 81.8 m -60.24 -44.83 94.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.401 175.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.25 -38.42 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -66.68 -23.27 66.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.369 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.66 22.82 17.44 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.458 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.411 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 21.9 m-85 -87.73 -21.8 24.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.353 0.597 . . . . 0.0 109.765 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 82' ' ' THR . 7.3 ptp180 -161.92 175.19 12.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.247 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.764 ' HA ' HG23 ' A' ' 82' ' ' THR . 12.1 pt-20 -164.81 -178.21 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.82 94.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 O-C-N 123.505 0.503 . . . . 0.0 112.951 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' H ' ' A' ' 91' ' ' ASN . 30.4 t70 56.52 -164.6 0.15 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 122.916 0.486 . . . . 0.0 110.104 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.716 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 56.3 t30 -158.61 140.48 9.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 121.804 -0.56 . . . . 0.0 109.567 177.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.716 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 39.7 Cg_endo -69.23 5.68 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.806 2.337 . . . . 0.0 112.944 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.687 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -89.89 -0.36 57.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.975 0.417 . . . . 0.0 110.567 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -83.53 149.16 26.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.179 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.44 106.12 5.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.876 175.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 96' ' ' ARG . 10.3 mtt180 -76.91 -21.51 54.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.064 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.5 -113.96 2.29 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -141.4 -48.07 0.39 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.699 0.285 . . . . 0.0 110.325 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.5 mt -139.97 -74.26 0.36 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.18 159.95 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.801 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -87.31 70.08 10.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.138 0.494 . . . . 0.0 109.891 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -75.98 121.8 23.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.513 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -123.68 146.47 48.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.901 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -171.62 131.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.718 0.294 . . . . 0.0 110.602 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -127.01 179.55 5.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.281 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.619 179.619 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.4 ttm . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.117 0.484 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 40.9 p -82.94 176.29 9.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.606 172.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -63.75 -38.76 92.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -59.27 -45.95 89.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.763 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.5 mt-10 -62.56 -45.61 92.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.7 t -65.34 -47.73 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.672 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.3 83.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.034 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.84 99.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 88.5 mt -61.42 -42.15 98.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -56.9 -47.57 80.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.657 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.404 HG23 ' HZ3' ' A' ' 18' ' ' TRP . 90.5 mt -71.68 -50.68 37.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.523 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.6 mttt -71.86 -35.57 69.87 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -173.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.11 -10.24 59.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.883 0.373 . . . . 0.0 111.236 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.575 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 48.4 m80 -115.13 -3.19 12.59 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.463 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 11.3 ptm180 -58.74 -18.33 30.68 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -171.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.457 ' O ' ' HE3' ' A' ' 19' ' ' LYS . 3.1 m -64.42 -53.8 42.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.007 0.432 . . . . 0.0 110.753 176.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -75.08 -23.09 57.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.222 1.01 . . . . 0.0 108.579 174.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.575 ' HB2' ' O ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -93.76 49.09 1.32 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.218 -176.206 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.874 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 31.4 mmtp -47.78 101.47 0.03 OUTLIER 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 165.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.874 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 63.4 t30 87.57 17.34 0.08 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 127.199 2.2 . . . . 0.0 106.662 51.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 p -87.32 -164.29 1.06 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 112.892 -1.958 . . . . 0.0 107.505 157.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 34.5 mtpt -73.54 -4.68 35.4 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.084 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 4.2 p-80 -67.54 -29.93 69.45 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.948 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.29 -38.11 78.17 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.216 0.532 . . . . 0.0 109.969 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.69 -46.23 90.59 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.133 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 16.3 mm-40 -58.43 -30.16 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.818 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.431 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 17.9 m95 -74.51 -51.15 15.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 m -66.33 -46.94 75.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.26 -176.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -66.52 -47.93 71.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.124 -171.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 p -62.34 -53.0 61.36 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.645 0.26 . . . . 0.0 111.474 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.71 -44.97 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -59.43 -34.81 72.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.017 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.8 m -81.69 -51.39 8.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.737 -175.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -77.85 -49.3 14.54 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.4 m -103.51 -19.26 14.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.54 -64.19 3.31 Favored Glycine 0 CA--C 1.519 0.326 0 O-C-N 123.81 0.694 . . . . 0.0 113.983 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.5 -24.07 51.15 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.718 2.278 . . . . 0.0 113.549 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.494 HG11 HG22 ' A' ' 55' ' ' VAL . 19.1 t -95.28 -73.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.1 pt -95.06 -3.03 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -173.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.492 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -55.5 -63.09 5.6 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.159 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.39 2.72 4.17 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.55 2.167 . . . . 0.0 113.169 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.612 HD13 HD13 ' A' ' 51' ' ' LEU . 78.6 mt -84.55 152.28 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 47' ' ' VAL . 39.2 t -68.69 147.5 51.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.54 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.51 -22.93 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 109.977 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -82.11 -24.68 35.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.436 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -86.76 -27.19 23.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.561 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 43' ' ' SER . 87.5 t -55.22 115.41 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.298 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -127.14 167.71 15.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.89 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 53' ' ' MET . 24.0 m -59.42 -36.43 75.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.515 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -61.83 -42.54 99.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 111.142 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.612 HD13 HD13 ' A' ' 42' ' ' LEU . 61.0 mt -66.9 -38.18 85.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.657 0.741 . . . . 0.0 109.732 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.601 HG23 ' NE ' ' A' ' 71' ' ' ARG . 18.9 mt -62.26 -35.32 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.54 178.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.8 mtt -66.65 -41.54 88.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.879 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -56.59 -38.88 72.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.424 -178.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.546 ' HB ' HH22 ' A' ' 71' ' ' ARG . 21.4 t -70.38 -38.93 75.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD22 ' HB1' ' A' ' 67' ' ' ALA . 51.1 mt -78.89 -23.11 45.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.946 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.598 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 9.0 t70 -45.54 -55.65 11.66 Favored Pre-proline 0 N--CA 1.47 0.562 0 O-C-N 123.55 0.531 . . . . 0.0 112.337 -176.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 72.8 Cg_endo -76.76 -13.51 17.83 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 121.946 1.764 . . . . 0.0 112.876 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.524 HD12 HD23 ' A' ' 56' ' ' LEU . 51.7 mt -82.78 -39.8 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 122.391 -0.193 . . . . 0.0 111.156 -177.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -57.92 -27.86 63.74 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.009 0.433 . . . . 0.0 111.114 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -69.26 -28.28 66.17 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.431 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -111.78 -52.99 2.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.274 -172.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -130.78 83.87 60.25 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.44 -53.19 4.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.059 2.506 . . . . 0.0 112.966 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.65 -40.18 91.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 110.742 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.2 m -67.85 -35.41 78.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.222 -175.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.588 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -58.05 -46.94 84.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.919 0.39 . . . . 0.0 110.926 178.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.6 t -71.26 -45.15 63.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.908 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -64.11 -32.8 74.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.831 0.348 . . . . 0.0 111.379 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 tp -67.56 -37.27 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.172 0.51 . . . . 0.0 110.179 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.601 ' NE ' HG23 ' A' ' 52' ' ' ILE . 19.6 mmt180 -67.65 -35.94 79.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.021 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.58 -30.67 72.59 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.272 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -71.23 -47.25 58.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.322 0.582 . . . . 0.0 109.904 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.83 -37.3 77.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.343 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.01 -48.05 64.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.501 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.67 -37.6 87.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.168 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.36 -49.08 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.566 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.39 -32.91 74.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.06 -47.67 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 109.845 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -60.59 -43.58 97.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.533 175.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.08 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.376 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.7 m -67.41 -44.61 78.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.81 -34.13 67.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 121.242 0.544 . . . . 0.0 110.429 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -72.54 -11.67 60.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.465 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.44 26.34 57.26 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.64 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -83.45 -32.64 25.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.185 0.517 . . . . 0.0 109.705 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -147.22 154.06 40.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.021 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -120.56 173.47 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 110.455 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.81 -162.31 24.11 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.234 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.531 ' OD1' ' HD3' ' A' ' 94' ' ' ARG . 5.7 t70 -87.79 170.93 10.78 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 45.8 t-20 -89.54 137.78 28.66 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 86.6 Cg_endo -86.24 -10.0 6.93 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.254 1.969 . . . . 0.0 113.678 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.04 3.0 56.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.531 ' HD3' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -102.53 150.36 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.966 0.412 . . . . 0.0 110.889 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.86 120.08 29.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.144 0.497 . . . . 0.0 112.088 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -104.33 103.33 13.05 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.15 -56.98 0.56 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -173.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.7 t80 61.68 -165.91 0.22 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.517 0.327 . . . . 0.0 110.269 173.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.45 -73.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.115 0.483 . . . . 0.0 109.839 175.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -152.76 104.93 2.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.1 176.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -76.75 104.53 7.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -137.5 134.59 35.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.879 0.371 . . . . 0.0 110.712 -176.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -65.96 0.97 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.677 172.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.0 t60 60.04 21.39 10.55 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.704 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -177.56 123.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.078 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.23 -0.891 . . . . 0.0 109.978 177.766 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.8 tpp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.621 0.248 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 74.6 p -97.0 164.26 12.6 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -63.33 -36.43 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -61.83 -47.06 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.632 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.582 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 45.7 mt-10 -63.33 -48.04 79.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 16.3 t -61.2 -44.96 96.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.935 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.17 89.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.931 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.21 82.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.987 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 86.5 mt -64.22 -43.11 95.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.475 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -56.9 -43.53 81.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.196 0.522 . . . . 0.0 110.222 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.471 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 90.5 mt -65.59 -50.05 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.08 178.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HA ' ' HB3' ' A' ' 15' ' ' ARG . 93.2 mttt -67.21 -33.36 75.21 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.47 -14.31 56.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.775 0.322 . . . . 0.0 111.52 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 76.3 m80 -122.12 2.22 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.983 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.594 ' HA ' ' HB2' ' A' ' 18' ' ' TRP . 2.9 ptm180 -58.77 -21.67 56.3 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -166.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -77.0 -42.75 37.45 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.768 -0.582 . . . . 0.0 110.957 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -73.88 -14.93 61.15 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.594 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 1.6 m0 -107.59 65.38 0.64 Allowed 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.824 -174.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.672 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 48.6 mmtm -42.77 129.02 4.26 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 162.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.672 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 9.4 t30 80.73 4.3 1.65 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 48.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.416 ' H ' ' C ' ' A' ' 19' ' ' LYS . 52.7 p -113.51 -169.24 1.46 Allowed 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 112.475 -2.148 . . . . 0.0 107.113 166.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -78.77 0.55 26.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 118.439 0.563 . . . . 0.0 112.335 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -60.46 -46.05 91.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.711 0.291 . . . . 0.0 110.775 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.19 86.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.55 -42.15 83.1 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.224 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.05 -38.85 77.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.909 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.61 ' HA ' HH11 ' A' ' 73' ' ' ARG . 9.0 m95 -67.0 -51.21 57.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 175.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 m -65.86 -51.12 61.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.901 -174.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.82 -49.98 75.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.858 -169.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.3 m -61.9 -48.04 82.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.772 0.32 . . . . 0.0 111.308 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.9 mt -67.27 -42.3 87.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.673 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 75.6 tttt -62.68 -35.12 78.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.079 0.466 . . . . 0.0 110.899 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.7 m -81.74 -51.56 8.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.861 -174.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -79.68 -49.15 12.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.6 m -88.77 -28.66 20.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.675 -0.238 . . . . 0.0 111.399 -174.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.565 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -50.04 -64.34 3.61 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 115.976 -0.557 . . . . 0.0 114.084 -176.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.9 -26.58 49.32 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.831 2.354 . . . . 0.0 113.526 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.432 HG11 HG22 ' A' ' 55' ' ' VAL . 24.2 t -92.99 -73.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.49 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.4 pt -101.59 0.76 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -173.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -56.43 -63.92 4.87 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-O 119.75 -0.472 . . . . 0.0 113.244 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 3.1 Cg_exo -76.42 -0.92 10.92 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.992 2.461 . . . . 0.0 112.515 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 39' ' ' ILE . 77.9 mt -81.47 159.06 24.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 t -67.16 147.52 52.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.797 0.332 . . . . 0.0 110.389 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.426 HG13 ' HB3' ' A' ' 87' ' ' ARG . 15.0 p -64.69 -17.79 22.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' CD ' ' HA ' ' A' ' 87' ' ' ARG . 22.6 mm-40 -74.01 -34.64 64.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.49 174.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -84.67 -5.99 59.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.94 109.88 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -129.13 165.26 21.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.445 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 m -58.62 -40.52 83.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.725 -175.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -58.56 -45.26 89.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.015 0.436 . . . . 0.0 109.921 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.0 mt -66.37 -43.61 85.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.829 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.27 -41.06 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 64.3 mtt -63.13 -36.48 83.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.799 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -68.95 -37.73 79.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.92 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 51' ' ' LEU . 51.0 t -68.15 -48.41 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 59' ' ' ILE . 95.9 mt -73.44 -24.94 60.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.291 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.566 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 4.3 t70 -49.12 -55.18 22.4 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 59.5 Cg_endo -74.36 -17.1 21.59 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.947 1.765 . . . . 0.0 112.589 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' LEU . 63.2 mt -75.19 -37.0 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.988 -177.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -58.8 -29.4 66.81 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.001 0.429 . . . . 0.0 111.494 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -73.33 -28.86 62.31 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.667 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -105.88 -49.55 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -135.69 79.07 47.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.152 -173.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.28 -40.96 17.42 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.494 2.129 . . . . 0.0 112.182 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -63.79 -40.71 97.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.134 0.492 . . . . 0.0 110.643 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.7 m -71.7 -32.55 67.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.795 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.8 93.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.725 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -71.17 -34.56 71.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -68.2 -32.84 73.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.27 0.557 . . . . 0.0 110.572 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 74' ' ' ILE . 51.4 tp -70.12 -43.1 71.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.219 177.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -61.13 -41.23 96.33 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.505 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.75 -38.43 95.18 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.133 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.61 HH11 ' HA ' ' A' ' 27' ' ' TRP . 75.9 mtm180 -70.86 -42.69 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.991 -0.123 . . . . 0.0 110.852 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 70' ' ' LEU . 75.5 mt -61.17 -46.9 95.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.576 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -55.07 -47.68 74.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.772 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.8 m -60.39 -44.04 96.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.179 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -67.12 -46.84 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.82 -43.58 98.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.543 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.99 -41.29 86.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.399 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -59.67 -44.06 93.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.165 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -64.32 -30.85 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.891 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.616 HG23 ' HA2' ' A' ' 89' ' ' GLY . 36.0 m -64.45 -44.75 90.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.354 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.1 -45.07 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.05 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.81 -19.39 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.104 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.01 31.76 16.51 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.711 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 38.1 m-85 -91.64 -28.73 17.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.474 ' HA ' ' CD ' ' A' ' 45' ' ' GLN . 4.9 ptm85 -135.97 171.71 14.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.44 173.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.37 175.46 6.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.799 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.616 ' HA2' HG23 ' A' ' 82' ' ' THR . . . -77.72 27.73 1.89 Allowed Glycine 0 CA--C 1.517 0.168 0 N-CA-C 115.488 0.955 . . . . 0.0 115.488 -166.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -118.88 143.76 46.79 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 117.398 0.599 . . . . 0.0 111.305 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -123.58 87.88 52.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.685 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.22 5.31 3.2 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.002 2.468 . . . . 0.0 113.345 -176.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.13 -22.55 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.012 0.434 . . . . 0.0 110.813 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -87.41 128.63 35.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.541 0.686 . . . . 0.0 110.458 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.584 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -115.14 122.69 46.85 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.24 -176.6 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -72.45 -25.25 61.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.86 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.17 88.96 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.662 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.584 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 52.2 t80 -106.77 -46.42 3.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 171.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.4 mt -100.82 17.81 21.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.888 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.07 120.7 8.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.55 -175.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -157.54 141.16 15.7 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -84.75 127.94 34.36 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.076 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -108.05 134.06 51.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.204 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -152.09 142.31 22.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.689 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -133.57 113.75 12.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 172.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 59.6 m170 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.577 -172.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -91.51 165.28 13.44 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.113 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -62.63 -43.21 99.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.872 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.6 m -64.82 -43.3 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.141 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.1 mt-10 -67.42 -43.08 82.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.132 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' HA ' HD12 ' A' ' 9' ' ' LEU . 13.6 t -62.03 -43.63 98.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.393 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.93 89.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.361 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.94 86.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.949 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.2 mt -60.42 -45.78 92.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.385 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.61 -49.37 77.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.937 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.61 -47.13 94.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.128 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.696 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 95.5 mttt -63.67 -33.08 74.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.82 -14.54 63.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.625 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -122.64 9.27 9.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.696 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 20.4 ptt180 -68.05 -26.38 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 110.59 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -72.02 -26.56 62.26 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.324 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -32.24 24.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.356 0.598 . . . . 0.0 110.097 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.2 m0 -96.59 42.94 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.733 -176.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 61.8 pttt -120.88 128.25 52.63 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 8.0 t30 -111.36 96.6 6.21 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.257 8.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.8 p -132.45 142.82 49.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.222 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HE3' ' HB3' ' A' ' 22' ' ' LYS . 12.2 mtpp -87.49 -2.46 58.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 177.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 2.4 p-80 -61.95 -27.83 69.12 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' TRP . . . -56.71 -42.73 79.68 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.218 0.533 . . . . 0.0 110.826 174.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.2 -42.81 88.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.083 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -60.6 -33.61 72.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.425 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.53 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 7.9 m95 -54.59 -51.4 65.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.676 0.275 . . . . 0.0 110.266 174.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 m -69.46 -43.24 73.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.278 0.561 . . . . 0.0 110.537 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -58.45 -48.96 79.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.517 -174.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m -67.22 -45.87 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.319 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.9 mt -62.74 -41.92 94.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.775 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.36 -31.34 71.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.943 0.401 . . . . 0.0 110.809 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 m -77.6 -53.15 7.93 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -80.34 -50.15 10.55 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.6 m -93.04 -26.21 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.389 -172.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.01 -65.02 2.43 Favored Glycine 0 CA--C 1.523 0.543 0 O-C-N 123.755 0.659 . . . . 0.0 114.566 -175.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.95 -9.34 24.58 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.693 2.262 . . . . 0.0 113.372 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.45 HG12 HG23 ' A' ' 39' ' ' ILE . 27.3 t -106.23 -73.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.646 0.26 . . . . 0.0 111.431 -176.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 42' ' ' LEU . 36.9 pt -108.88 6.36 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.566 -173.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.91 -64.41 4.32 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 116.124 -0.489 . . . . 0.0 113.546 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -75.3 5.06 4.36 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.77 2.314 . . . . 0.0 113.276 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.4 mt -80.33 146.14 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.3 m -59.84 138.76 57.71 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 120.762 0.315 . . . . 0.0 110.644 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.669 HG22 HH21 ' A' ' 87' ' ' ARG . 6.0 p -70.31 -12.43 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 121.271 0.557 . . . . 0.0 111.04 -174.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -87.32 -26.83 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.494 0.664 . . . . 0.0 109.601 173.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.71 -15.42 32.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.673 -174.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -57.92 107.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.401 ' H ' HD12 ' A' ' 51' ' ' LEU . 21.5 t70 -108.92 163.95 12.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.738 -175.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.3 m -65.15 -33.82 76.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.155 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 8.1 tmtt? -66.78 -38.54 86.75 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 48' ' ' ASP . 79.3 mt -66.81 -38.28 86.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.311 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.5 mt -67.08 -38.75 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.229 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.448 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 13.2 mmt -57.33 -36.68 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 50.6 mtpt -59.87 -42.08 92.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.383 . . . . 0.0 110.742 177.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.3 t -74.04 -47.09 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.097 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.4 mt -78.97 -31.09 44.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -171.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.609 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 24.9 t0 -47.13 -56.22 12.93 Favored Pre-proline 0 N--CA 1.476 0.828 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -174.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 36.8 Cg_endo -68.67 -33.43 21.58 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.585 1.523 . . . . 0.0 112.138 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.582 HG22 ' HB2' ' A' ' 67' ' ' ALA . 32.9 mm -68.8 -31.07 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.088 -176.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -54.81 -37.41 66.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.964 0.411 . . . . 0.0 110.89 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.23 -42.68 13.59 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.346 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -66.7 -59.25 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 111.364 -177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -138.65 82.63 21.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.942 -173.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.11 -46.37 31.44 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.22 2.613 . . . . 0.0 113.291 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.19 -33.6 73.61 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.09 0.471 . . . . 0.0 110.743 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 m -71.86 -36.84 70.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.8 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.582 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -61.08 -45.18 95.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.025 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 p -70.88 -39.48 72.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.302 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.72 -37.62 85.05 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.036 0.446 . . . . 0.0 111.11 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 54.4 tp -67.87 -41.99 81.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.706 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.495 ' NH1' ' HB2' ' A' ' 95' ' ' TRP . 5.1 ttp180 -62.93 -36.74 84.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.284 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.02 99.92 Favored Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.887 -178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 20.0 ptp180 -71.83 -34.3 69.18 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.469 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.21 -39.84 83.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.88 -48.42 70.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.722 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.8 t -66.33 -42.66 87.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.899 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 73' ' ' ARG . 91.3 t -65.04 -46.42 91.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.944 0.402 . . . . 0.0 110.678 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 92' ' ' PRO . 74.4 mt -61.62 -46.94 87.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.36 -40.13 89.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.912 0.387 . . . . 0.0 110.966 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.21 -45.57 94.03 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.681 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.98 -31.66 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.6 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.2 m -64.3 -48.69 74.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.777 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.2 -36.28 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.694 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -66.51 -15.39 63.35 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.104 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.33 33.96 11.14 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.142 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -90.82 -4.76 56.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.023 0.44 . . . . 0.0 110.614 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.669 HH21 HG22 ' A' ' 44' ' ' VAL . 10.2 ptp85 -166.03 171.34 12.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.126 174.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -116.93 164.36 14.8 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.37 -138.26 15.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.581 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -117.84 178.59 4.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -83.09 144.13 46.8 Favored Pre-proline 0 N--CA 1.445 -0.721 0 CA-C-O 120.861 0.362 . . . . 0.0 110.388 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.493 ' HD2' HD13 ' A' ' 78' ' ' LEU . 60.2 Cg_endo -73.65 0.26 8.41 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.78 2.32 . . . . 0.0 113.235 -177.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.4 18.03 21.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.0 115.22 10.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.36 0.6 . . . . 0.0 111.873 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.495 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -143.78 104.0 4.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.859 178.626 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -75.36 -17.3 60.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.006 0.431 . . . . 0.0 110.571 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.81 68.72 0.27 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.141 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -70.58 -65.28 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.473 0.177 . . . . 0.0 110.624 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.6 mt -124.2 -75.59 0.6 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.942 0.401 . . . . 0.0 110.559 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -127.07 124.51 39.43 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -139.92 63.64 1.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 0.0 110.891 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -96.1 -81.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 171.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 15.6 t60 56.85 93.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 O-C-N 123.829 0.705 . . . . 0.0 110.386 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -56.91 125.64 23.43 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -176.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -110.02 178.66 4.34 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 -173.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 68.8 t60 . . . . . 0 C--O 1.247 0.968 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 174.779 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 43' ' ' SER . 42.9 tpp . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 67.5 p -95.64 162.57 13.56 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -58.96 -40.06 83.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.718 0.294 . . . . 0.0 110.634 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 m -60.97 -46.98 88.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.5 mt-10 -66.94 -43.97 81.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t -62.79 -44.76 95.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.717 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.28 -40.95 87.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.675 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.5 -33.59 76.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.879 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.0 mt -68.07 -41.78 81.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.364 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -57.13 -48.25 79.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.486 . . . . 0.0 110.287 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.84 -49.46 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.062 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.682 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.6 mttp -65.25 -34.45 78.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.509 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.78 -18.98 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.859 0.361 . . . . 0.0 111.362 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -112.39 -2.99 14.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.554 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.682 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 42.5 ptt85 -56.92 -29.13 62.8 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -171.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 m -70.35 -42.51 71.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.78 0.324 . . . . 0.0 110.979 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -74.78 -16.17 60.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.785 0.802 . . . . 0.0 108.973 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.622 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 4.0 m0 -100.79 56.26 0.87 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.457 -1.247 . . . . 0.0 113.428 -172.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.905 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 43.4 mmtm -62.07 88.54 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 152.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.905 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 27.0 t-20 90.88 79.65 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 127.386 2.274 . . . . 0.0 107.525 49.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 p -151.23 -161.12 1.26 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 111.118 -2.765 . . . . 0.0 107.012 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.4 mmmt -57.07 -20.23 23.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.804 0.275 . . . . 0.0 111.709 175.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -60.27 -53.16 60.96 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.532 0.206 . . . . 0.0 111.331 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -34.92 75.9 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.088 0.47 . . . . 0.0 110.44 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.64 -51.31 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.871 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.8 mm-40 -60.2 -41.8 93.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.065 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -57.95 -51.13 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 111.073 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 m -68.72 -41.01 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.251 0.548 . . . . 0.0 110.283 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -64.28 -48.96 73.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.937 -172.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 p -66.93 -50.49 62.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.732 0.301 . . . . 0.0 111.705 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.79 -41.02 90.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 3.5 tmmm? -62.56 -35.47 79.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.159 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.9 m -81.78 -51.97 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.887 -175.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -78.61 -49.8 12.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 39.1 m -88.48 -24.08 23.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.535 0.207 . . . . 0.0 111.469 -173.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.517 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -50.04 -64.72 3.34 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.77 -0.65 . . . . 0.0 114.431 -175.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.93 -24.14 78.72 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.697 2.265 . . . . 0.0 113.868 -174.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -96.7 -70.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.2 pt -104.05 -0.09 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.632 0.253 . . . . 0.0 111.458 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.493 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -53.83 -63.16 5.37 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.571 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.517 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 6.9 Cg_exo -74.24 4.88 3.97 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.133 2.556 . . . . 0.0 113.243 -177.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 39' ' ' ILE . 94.8 mt -89.74 143.87 26.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 1' ' ' MET . 12.5 m -61.27 135.85 57.86 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.326 177.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 86' ' ' TYR . 11.1 p -59.92 -24.34 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.64 -175.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 63.7 tt0 -73.8 -26.11 60.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.24 0.543 . . . . 0.0 111.079 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.81 -14.26 34.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.951 0.405 . . . . 0.0 110.629 -174.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.04 114.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.484 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -120.92 167.97 11.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.806 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.4 m -55.15 -43.89 74.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.382 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 2.2 tmtp? -64.56 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.06 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.86 -38.21 90.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.8 -39.37 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.261 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.9 mtt -58.94 -37.21 76.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.794 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 59.5 mtpt -62.07 -38.02 87.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -71.92 -43.46 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.48 -24.8 50.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.656 -175.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.605 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 16.4 t70 -43.91 -57.11 6.42 Favored Pre-proline 0 N--CA 1.472 0.653 0 O-C-N 123.849 0.718 . . . . 0.0 112.699 -175.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 58.8 Cg_endo -71.99 -23.6 21.64 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 121.793 1.662 . . . . 0.0 112.526 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.7 mm -75.43 -30.7 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 -175.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.423 ' O ' ' HG3' ' A' ' 64' ' ' PRO . 70.7 m95 -61.84 -28.63 69.62 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.347 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -82.13 -35.98 27.94 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.803 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -80.91 -60.32 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.234 -177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HE3' ' OG1' ' A' ' 66' ' ' THR . 28.9 mtpp -143.4 85.24 9.62 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.172 -175.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HG3' ' O ' ' A' ' 60' ' ' TRP . 32.4 Cg_exo -56.4 -49.74 14.1 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.368 2.712 . . . . 0.0 113.23 -174.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 71.2 mm-40 -60.8 -38.73 86.34 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.143 0.497 . . . . 0.0 110.716 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.582 ' OG1' ' HE3' ' A' ' 63' ' ' LYS . 29.9 m -68.01 -32.82 73.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.843 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 71' ' ' ARG . . . -62.23 -43.02 99.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.899 0.381 . . . . 0.0 111.073 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.724 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 24.1 t -70.22 -37.51 75.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.488 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 63.1 mtt180 -70.37 -32.49 70.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.025 0.441 . . . . 0.0 111.048 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.12 -34.22 77.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.308 176.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.724 ' HE ' ' HA ' ' A' ' 68' ' ' SER . 45.7 mtm180 -55.82 -36.15 67.16 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.555 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.54 -36.2 90.82 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.642 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -68.02 -47.37 68.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.011 0.434 . . . . 0.0 109.963 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.5 mt -61.87 -44.51 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.489 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.8 -44.66 96.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.391 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.0 m -60.59 -43.14 97.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.316 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.85 -43.22 79.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.18 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.514 HD13 ' HD2' ' A' ' 92' ' ' PRO . 94.2 mt -63.86 -36.05 82.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.464 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.27 -45.21 85.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.231 0.539 . . . . 0.0 110.11 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.406 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 89.7 t90 -60.83 -44.51 96.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.349 176.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.9 -36.83 82.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.397 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.753 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 87.5 m -65.2 -42.48 93.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.977 0.417 . . . . 0.0 111.373 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.1 t -70.42 -34.21 57.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 110.563 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 84' ' ' ARG . 3.1 mpt_? -80.75 -4.07 53.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.588 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.42 3.25 78.55 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.888 172.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.45 ' HB3' HG11 ' A' ' 44' ' ' VAL . 36.8 m-85 -70.1 -21.48 63.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.448 0.642 . . . . 0.0 109.892 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.753 ' O ' ' HA ' ' A' ' 82' ' ' THR . 11.6 ptm180 -154.56 147.86 24.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 171.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -134.58 163.28 30.08 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.033 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.38 -102.15 0.99 Allowed Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.58 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.01 162.75 38.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -82.28 141.1 45.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.514 ' HD2' HD13 ' A' ' 78' ' ' LEU . 93.4 Cg_endo -92.57 5.23 3.38 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.882 2.388 . . . . 0.0 112.735 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.55 1.4 46.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.69 -175.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.542 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 5.0 ppt_? -96.55 142.95 28.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.965 0.412 . . . . 0.0 110.607 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.454 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -136.46 158.99 43.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.456 -175.009 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.44 -52.49 4.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.354 173.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.43 52.71 0.42 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.283 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 74.6 t80 -51.91 -53.67 38.23 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.174 0.511 . . . . 0.0 110.303 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.5 mt -91.44 -74.09 0.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.863 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -160.11 131.58 5.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -119.57 82.9 1.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -120.1 110.93 17.23 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -59.82 -56.17 25.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.626 -172.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.527 ' CG ' ' H ' ' A' ' 105' ' ' HIS . 23.6 t-80 60.22 -167.52 0.18 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.527 ' H ' ' CG ' ' A' ' 104' ' ' HIS . 3.5 t-160 72.8 115.96 0.05 Allowed 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 122.863 0.465 . . . . 0.0 110.743 173.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 . . . . . 0 C--O 1.243 0.717 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.954 177.926 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.6 p -86.09 162.81 18.24 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.033 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.24 -41.42 96.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.728 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m -60.85 -40.87 94.49 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.804 0.335 . . . . 0.0 110.94 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 51.6 mt-10 -67.46 -48.35 67.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.23 -44.02 96.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.778 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.46 93.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.568 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.65 97.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 88.9 mt -63.74 -37.45 87.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.74 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -57.68 -44.36 85.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.105 0.478 . . . . 0.0 110.161 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.0 -47.95 65.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.47 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 95.7 mttt -56.98 -46.1 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.702 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.69 -3.82 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -130.1 6.64 5.0 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.212 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 16.4 ptt180 -72.57 -15.98 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.008 0.433 . . . . 0.0 111.155 -174.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -90.31 -29.39 18.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.812 173.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 m -74.6 -17.44 60.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.847 0.832 . . . . 0.0 109.038 173.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -114.32 77.9 1.1 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.38 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.901 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 66.4 mttm -61.48 84.73 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 160.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.901 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 33.6 t30 93.24 84.8 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 127.306 2.242 . . . . 0.0 107.373 50.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 p -164.9 -161.26 0.54 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 110.06 -3.246 . . . . 0.0 104.91 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -63.49 -2.44 1.59 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.21 -45.87 79.69 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 174.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.05 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.217 0.532 . . . . 0.0 110.118 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.81 -43.4 93.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.754 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -57.84 -42.56 84.66 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.213 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -66.02 -47.99 72.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.251 176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 25.5 m -69.02 -49.27 59.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.544 -175.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -57.75 -46.61 84.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.707 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.0 p -63.78 -53.14 55.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.732 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.21 -39.93 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.05 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' THR . 7.3 tmtt? -60.08 -38.62 83.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.251 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.8 m -81.84 -49.98 9.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.995 -174.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -79.34 -48.07 14.7 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.4 m -88.42 -28.13 21.1 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.55 -64.42 3.68 Favored Glycine 0 CA--C 1.523 0.585 0 O-C-N 123.653 0.596 . . . . 0.0 114.388 -175.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -58.52 -20.66 50.52 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.949 2.433 . . . . 0.0 113.93 -175.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.49 -79.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.434 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.483 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.3 pt -96.26 4.63 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 111.466 -174.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.1 -63.45 5.26 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.537 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.5 5.46 3.73 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.979 2.453 . . . . 0.0 113.087 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.6 mt -88.56 160.59 17.38 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -71.08 138.68 49.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.458 ' HA ' HG23 ' A' ' 47' ' ' VAL . 14.5 p -66.42 -22.03 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.562 0.696 . . . . 0.0 109.693 175.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.614 ' HG2' ' HB2' ' A' ' 87' ' ' ARG . 20.1 tm0? -75.07 -36.99 61.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.332 178.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -82.79 -7.63 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -177.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 44' ' ' VAL . 94.8 t -58.11 105.65 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.128 0.489 . . . . 0.0 111.068 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -116.89 167.07 11.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.007 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.46 ' O ' ' HG3' ' A' ' 53' ' ' MET . 1.4 m -58.36 -38.93 78.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.586 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -62.73 -39.07 92.93 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.007 0.432 . . . . 0.0 110.403 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.62 -38.77 90.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.674 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.46 -38.74 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.245 177.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.3 mtt -59.45 -37.45 78.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -61.56 -38.18 86.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.3 t -75.32 -42.98 43.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.097 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.5 mt -76.72 -24.35 53.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -172.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.591 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.7 t70 -47.0 -55.56 14.84 Favored Pre-proline 0 N--CA 1.474 0.751 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -175.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 71.8 Cg_endo -77.18 -19.29 13.67 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.841 1.694 . . . . 0.0 113.299 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.57 HG22 ' HB2' ' A' ' 67' ' ' ALA . 57.0 mt -77.66 -39.72 27.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 O-C-N 122.462 -0.149 . . . . 0.0 111.3 -175.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -58.79 -29.98 67.23 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.16 0.505 . . . . 0.0 111.221 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -77.77 -27.18 50.24 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.191 -177.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -94.9 -61.89 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.323 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -140.47 85.86 12.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.178 -172.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.54 -31.06 93.62 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.777 2.318 . . . . 0.0 112.467 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.41 -45.02 92.91 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.238 0.542 . . . . 0.0 110.454 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -71.22 -36.4 71.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.21 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.57 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -62.18 -40.99 97.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.519 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.1 m -65.65 -40.48 92.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.585 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -67.98 -38.49 82.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.887 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.2 tp -63.88 -39.34 93.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.915 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -54.47 -49.74 69.38 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.13 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.58 -41.92 98.99 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.5 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -68.12 -43.07 79.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.543 0.211 . . . . 0.0 110.977 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.06 -39.52 85.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.65 0.262 . . . . 0.0 110.604 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -56.25 -48.48 76.45 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.694 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.6 m -61.78 -43.78 98.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.493 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.14 -47.81 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.956 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.552 HD13 ' HD2' ' A' ' 92' ' ' PRO . 88.7 mt -65.78 -39.79 91.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.261 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 83' ' ' VAL . 32.4 t70 -65.52 -41.91 92.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.343 . . . . 0.0 110.357 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.419 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 64.9 t90 -58.11 -51.06 71.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.373 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.58 96.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.137 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.7 m -64.16 -43.27 95.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 79' ' ' ASP . 92.1 t -68.81 -40.04 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.82 178.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 24.8 mmm180 -69.24 -16.05 63.5 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.64 32.93 8.24 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.743 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -84.26 -15.02 48.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.025 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.614 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 11.5 ptt180 -164.48 164.48 21.87 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -96.08 176.1 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.56 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.54 -125.69 7.53 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.691 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -156.02 172.47 18.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 27.2 p-10 -90.86 143.19 28.37 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 118.395 0.543 . . . . 0.0 110.828 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.552 ' HD2' HD13 ' A' ' 78' ' ' LEU . 85.9 Cg_endo -87.82 5.68 5.35 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.019 2.479 . . . . 0.0 112.888 -174.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.49 -11.48 59.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -87.65 126.56 35.03 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.922 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -117.34 116.29 26.92 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.465 -178.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -73.17 -38.49 66.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.931 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.26 -21.47 2.79 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.24 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.6 t80 65.67 175.2 0.22 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.906 0.482 . . . . 0.0 110.648 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.13 -31.3 72.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.267 0.556 . . . . 0.0 110.394 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.571 ' HG2' ' H ' ' A' ' 101' ' ' HIS . 9.3 tt0 -87.74 -150.71 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.895 177.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.571 ' H ' ' HG2' ' A' ' 100' ' ' GLU . 32.7 t-80 -137.7 79.98 1.78 Allowed 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.094 -0.379 . . . . 0.0 110.58 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.0 t60 54.29 80.56 0.12 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.3 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -70.87 110.52 5.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.163 0.506 . . . . 0.0 110.807 -175.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 53.4 t-80 -106.82 17.05 23.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.572 178.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 30.7 m170 63.92 -88.78 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -165.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.4 m80 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.075 170.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.0 p -91.99 168.25 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.415 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -65.41 -39.89 92.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.587 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -64.49 -40.48 95.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.42 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 49.0 mt-10 -65.67 -49.39 68.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.4 t -60.88 -45.12 95.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.601 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.2 86.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.786 177.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -62.42 -30.81 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 77.7 mt -73.02 -43.76 61.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.642 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -56.76 -48.55 77.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.564 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.584 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 95.3 mt -58.51 -40.14 77.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.238 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 61.4 mttp -71.09 -45.06 64.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.751 0.31 . . . . 0.0 111.391 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.5 -28.92 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.003 0.43 . . . . 0.0 111.713 -176.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -107.11 6.76 29.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.65 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.584 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -67.43 -37.58 83.24 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.626 0.25 . . . . 0.0 110.867 -175.662 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -67.08 -28.43 68.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.998 0.428 . . . . 0.0 110.889 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -70.89 -33.78 70.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.853 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -90.47 -39.4 12.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.827 0.346 . . . . 0.0 111.235 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.934 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 21.8 tttp 67.78 108.09 0.05 OUTLIER 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -156.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.934 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER 79.97 8.89 1.48 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.101 2.161 . . . . 0.0 106.479 36.77 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.471 HG23 ' HG2' ' A' ' 19' ' ' LYS . 11.7 p -112.29 -85.11 0.58 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 113.8 -1.545 . . . . 0.0 109.193 166.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -108.79 -20.22 13.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.072 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 33.6 m-70 -55.22 -35.08 64.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.346 -172.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.23 93.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.813 0.339 . . . . 0.0 110.642 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.1 -36.45 66.77 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -58.8 -41.87 87.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.186 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.406 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 8.4 m95 -71.61 -46.7 58.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 176.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.3 m -61.34 -50.27 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.53 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -54.78 -50.25 68.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.967 -170.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 m -61.44 -53.61 54.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.46 -42.0 89.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.043 -175.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -64.4 -32.99 74.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.022 0.439 . . . . 0.0 110.51 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.8 m -82.67 -51.59 7.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.22 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -79.07 -50.05 11.68 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -176.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' A' ' 70' ' ' LEU . 60.3 m -85.49 -30.66 23.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -174.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -49.71 -65.08 3.03 Favored Glycine 0 CA--C 1.522 0.474 0 O-C-N 123.877 0.736 . . . . 0.0 114.155 -175.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.77 -20.23 34.45 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.942 2.428 . . . . 0.0 113.811 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.602 HG11 HG22 ' A' ' 55' ' ' VAL . 29.1 t -100.63 -73.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.546 -176.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.8 pt -104.92 4.22 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.565 0.221 . . . . 0.0 111.567 -174.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.28 -63.69 4.95 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 116.159 -0.473 . . . . 0.0 113.33 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 5.0 Cg_exo -75.78 5.49 4.34 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.98 2.453 . . . . 0.0 113.016 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 39' ' ' ILE . 78.3 mt -86.31 153.16 22.17 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.455 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 32.7 t -61.97 141.53 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.439 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.1 -22.17 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.008 0.432 . . . . 0.0 110.142 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -80.18 -33.18 38.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 43' ' ' SER . 3.0 m-20 -69.95 -24.53 63.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.394 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.9 t -55.56 111.54 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.486 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -132.74 173.4 11.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.106 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -52.18 -49.25 64.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.902 0.751 . . . . 0.0 112.452 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -71.41 -34.13 70.07 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -174.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.36 -41.87 98.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.754 0.311 . . . . 0.0 110.252 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.94 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.079 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.47 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 65.8 mtt -61.1 -40.1 92.47 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.235 178.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -59.87 -37.12 78.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.47 0.176 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.602 HG22 HG11 ' A' ' 38' ' ' VAL . 39.3 t -70.47 -48.77 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -76.42 -28.78 56.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.325 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.602 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 1.3 t70 -51.68 -53.21 53.09 Favored Pre-proline 0 N--CA 1.47 0.53 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -174.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 21.7 Cg_exo -63.27 -34.74 66.4 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.911 1.741 . . . . 0.0 112.036 175.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 57.3 mt -71.64 -32.78 46.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.424 -174.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -54.59 -25.4 26.12 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.96 -39.37 42.78 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 120.841 0.353 . . . . 0.0 111.908 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -105.97 -42.17 5.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -174.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -125.1 69.17 58.62 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.879 -173.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -63.9 -49.37 4.08 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.2 1.934 . . . . 0.0 112.118 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 38.9 tt0 -60.54 -41.5 94.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.882 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 m -69.53 -39.38 77.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.661 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 71' ' ' ARG . . . -61.76 -39.57 92.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.002 0.43 . . . . 0.0 109.972 175.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -64.19 -43.0 96.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.471 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 43.8 mtt180 -61.87 -43.53 98.66 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.117 0.485 . . . . 0.0 110.36 176.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD21 ' SG ' ' A' ' 35' ' ' CYS . 31.5 tp -61.14 -38.09 85.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.053 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 35.8 mtm180 -55.07 -44.38 74.74 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.59 -38.83 95.07 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.384 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 77' ' ' VAL . 92.1 mtt180 -67.94 -44.96 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.659 0.266 . . . . 0.0 110.687 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.6 -38.76 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.016 0.436 . . . . 0.0 109.901 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.457 ' HA ' HD21 ' A' ' 91' ' ' ASN . 5.0 tm-20 -58.44 -48.08 81.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.533 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -66.97 -33.25 75.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.724 0.297 . . . . 0.0 111.7 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 73' ' ' ARG . 85.6 t -71.24 -44.51 73.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 120.851 0.358 . . . . 0.0 110.794 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.57 -38.59 91.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.334 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.04 -45.22 93.28 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.005 0.431 . . . . 0.0 110.088 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.459 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 77.5 t90 -58.18 -51.18 70.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' HD2' ' A' ' 86' ' ' TYR . . . -63.95 -32.91 74.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.737 0.303 . . . . 0.0 111.316 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.777 HG23 ' HA3' ' A' ' 89' ' ' GLY . 70.8 m -65.08 -49.69 69.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.956 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.7 t -70.62 -37.8 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -177.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 17.0 mmm180 -70.37 -25.35 63.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.264 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.31 37.62 5.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.288 175.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 81' ' ' ALA . 85.0 m-85 -91.25 -20.9 21.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.383 . . . . 0.0 110.277 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -161.63 157.93 25.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.78 142.3 56.14 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 170.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.777 ' HA3' HG23 ' A' ' 82' ' ' THR . . . -127.26 -132.75 3.68 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.2 -1.476 . . . . 0.0 115.673 -163.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.5 114.68 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 114.301 -0.949 . . . . 0.0 109.027 -160.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.516 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 14.6 t-20 -72.35 136.88 81.21 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.378 -161.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 93.9 Cg_endo -87.22 -10.66 5.57 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.066 2.51 . . . . 0.0 112.372 173.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.87 2.87 40.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.242 0.544 . . . . 0.0 110.676 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -102.68 114.78 29.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.698 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -113.61 147.36 38.2 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.43 -173.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -75.77 -21.22 57.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.669 0.747 . . . . 0.0 109.014 171.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.43 89.63 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.046 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.402 ' HD2' ' HG ' ' A' ' 99' ' ' LEU . 67.1 t80 -50.64 -53.67 29.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.023 0.439 . . . . 0.0 110.588 -177.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.402 ' HG ' ' HD2' ' A' ' 98' ' ' TYR . 89.1 mt -114.88 -20.96 10.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 109.767 175.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -83.04 24.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.641 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -71.39 -12.12 61.25 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.323 -178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -96.21 93.13 6.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.39 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 54.36 85.04 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 O-C-N 124.081 0.863 . . . . 0.0 112.023 176.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -111.51 161.5 16.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.671 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -72.81 139.82 47.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.243 0.734 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.617 -177.544 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 tpp . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.893 0.377 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 60.4 p -103.68 167.9 9.49 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.831 175.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.71 -41.62 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.433 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -60.09 -43.89 95.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.097 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 41.8 mt-10 -66.0 -45.65 80.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.12 -40.85 90.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.244 0.545 . . . . 0.0 110.071 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.48 94.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.234 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.22 75.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.074 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 92.7 mt -61.21 -49.59 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.968 0.413 . . . . 0.0 110.14 176.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -58.22 -44.9 88.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.735 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.24 -50.33 53.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.964 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -68.97 -34.54 75.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.453 0.168 . . . . 0.0 111.445 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.07 -6.77 36.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.323 . . . . 0.0 111.656 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -132.76 9.34 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.128 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -64.64 -36.27 83.72 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -172.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' HE2' ' A' ' 19' ' ' LYS . 19.8 m -72.72 -25.72 61.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.169 0.509 . . . . 0.0 110.588 178.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 m -86.9 -12.99 46.09 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.7 m0 -93.09 31.25 1.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.169 0.509 . . . . 0.0 111.987 -176.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HE2' ' O ' ' A' ' 16' ' ' SER . 53.9 mtmt -72.72 145.31 47.24 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 165.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -96.32 132.32 41.93 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 125.47 1.508 . . . . 0.0 111.959 18.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.46 ' HB ' ' H ' ' A' ' 22' ' ' LYS . 10.7 p 67.1 -164.37 0.22 Allowed 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 114.106 -1.406 . . . . 0.0 113.777 170.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.741 ' HB3' ' HB3' ' A' ' 25' ' ' ASP . 33.6 mtmt -71.1 36.68 0.05 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -163.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -55.23 -35.2 64.66 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 120.641 0.257 . . . . 0.0 110.691 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.13 -39.4 78.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.957 0.408 . . . . 0.0 111.113 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.741 ' HB3' ' HB3' ' A' ' 22' ' ' LYS . 38.4 t70 -66.07 -39.03 89.73 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.035 0.445 . . . . 0.0 109.874 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -58.39 -45.43 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.58 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -62.19 -51.22 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.974 177.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m -60.58 -48.99 79.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.196 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.48 -48.14 78.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.542 -173.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 p -64.9 -51.07 63.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.664 0.268 . . . . 0.0 111.64 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 73' ' ' ARG . 78.2 mt -61.39 -43.16 96.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.072 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 23.2 ttpp -64.21 -29.57 70.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.7 m -81.48 -51.99 7.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.031 0.443 . . . . 0.0 111.76 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -79.95 -49.32 12.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.3 m -87.95 -22.35 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.107 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.492 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -51.87 -67.64 1.92 Allowed Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.974 -0.557 . . . . 0.0 113.94 -175.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.97 -5.05 4.25 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 122.904 2.403 . . . . 0.0 114.057 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.0 t -107.61 -66.39 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 111.02 -178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.3 pt -116.77 2.45 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.627 -175.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -54.29 -63.57 5.06 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 116.088 -0.506 . . . . 0.0 113.329 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 6.7 Cg_exo -74.6 5.94 3.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.053 2.502 . . . . 0.0 113.028 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 39' ' ' ILE . 83.3 mt -94.44 168.05 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 47' ' ' VAL . 47.2 t -68.74 139.47 55.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.874 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.8 p -70.47 -20.02 22.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.502 0.668 . . . . 0.0 109.675 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.493 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 23.4 tm0? -77.16 -37.65 53.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.238 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.9 -18.86 60.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.121 -175.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.595 ' HA ' HD12 ' A' ' 51' ' ' LEU . 88.0 t -59.94 114.19 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.047 0.451 . . . . 0.0 110.468 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.445 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.6 t70 -133.76 -173.18 3.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.091 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 m -58.54 -43.24 89.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.58 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -57.92 -45.19 86.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.02 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 47' ' ' VAL . 78.2 mt -67.93 -46.22 72.13 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.328 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.472 HD12 ' HB2' ' A' ' 92' ' ' PRO . 67.2 mt -61.07 -44.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.551 0.215 . . . . 0.0 111.544 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.6 ptp -64.37 -34.44 78.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.858 0.361 . . . . 0.0 110.6 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.721 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.67 -37.57 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.224 177.04 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 51' ' ' LEU . 94.5 t -61.21 -45.99 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.531 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 59' ' ' ILE . 97.8 mt -72.21 -24.43 61.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.551 -177.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.6 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 4.8 t70 -48.11 -57.17 11.08 Favored Pre-proline 0 CA--C 1.541 0.606 0 O-C-N 123.705 0.628 . . . . 0.0 112.513 -174.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 72.9 Cg_endo -76.34 -14.57 18.28 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.744 1.629 . . . . 0.0 112.598 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 56' ' ' LEU . 61.2 mt -76.25 -34.38 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.561 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -60.99 -26.82 67.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.024 0.44 . . . . 0.0 110.743 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -75.94 -47.92 23.29 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.692 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.2 -65.25 0.87 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.936 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.691 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -132.36 85.6 48.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.511 -174.262 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.79 -26.54 79.65 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.592 2.195 . . . . 0.0 112.45 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -71.15 -45.1 64.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.456 0.646 . . . . 0.0 110.04 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -71.72 -31.02 66.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.174 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.08 75.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 111.13 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -70.23 -39.94 74.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -68.22 -37.54 80.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.231 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.46 -33.92 75.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.116 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -54.69 -37.34 65.69 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.403 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.59 -36.24 91.1 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.606 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.438 ' HB3' HD11 ' A' ' 31' ' ' ILE . 72.8 mtt85 -71.28 -45.33 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.16 -41.55 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.127 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HA ' HD21 ' A' ' 91' ' ' ASN . 37.9 tt0 -59.7 -49.03 79.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.234 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -60.94 -39.18 88.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.313 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.3 t -70.96 -47.34 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.008 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.73 -37.33 82.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.308 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -59.45 -47.15 86.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 109.912 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -62.21 -49.52 75.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.663 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.58 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.737 -177.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.2 m -65.3 -44.09 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.31 -33.14 60.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.077 0.465 . . . . 0.0 110.691 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -77.48 -4.12 43.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.847 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.2 13.3 68.88 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.364 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -78.92 -19.64 51.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.089 0.471 . . . . 0.0 110.057 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.493 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 8.4 ptm180 -159.19 150.49 20.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -109.9 166.33 11.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.995 0.426 . . . . 0.0 111.071 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.57 -143.14 15.78 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.472 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.25 -175.08 2.73 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.542 HD21 ' HA ' ' A' ' 75' ' ' GLU . 15.8 t30 -94.64 136.2 23.31 Favored Pre-proline 0 C--N 1.319 -0.743 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.791 -178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HB2' HD12 ' A' ' 52' ' ' ILE . 2.8 Cg_exo -79.17 -20.62 9.8 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.935 2.423 . . . . 0.0 113.5 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.44 2.06 23.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -75.2 -64.54 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.966 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.574 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER 69.96 125.13 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 177.307 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -74.09 -30.52 62.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.74 173.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 160.46 77.03 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.98 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.574 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 62.9 t80 -71.24 -42.01 69.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.065 0.459 . . . . 0.0 110.291 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.58 -65.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.965 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -110.7 151.23 27.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.957 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -124.0 98.2 5.69 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 170.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.33 143.05 27.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.413 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -79.83 144.88 33.1 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.476 ' O ' ' HB3' ' A' ' 105' ' ' HIS . 56.5 t-80 -50.06 -55.13 16.05 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.448 0.467 . . . . 0.0 111.705 -176.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.476 ' HB3' ' O ' ' A' ' 104' ' ' HIS . 44.6 t-80 72.72 137.59 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.146 0.904 . . . . 0.0 110.361 -175.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.307 -0.854 . . . . 0.0 109.896 178.487 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.5 tpp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.2 p -91.97 167.32 12.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.9 -41.74 95.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.503 -177.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 m -62.44 -44.74 95.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.651 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -65.79 -45.44 82.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.93 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 t -60.91 -46.06 92.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.472 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.16 94.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.987 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.01 97.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.872 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.6 -39.75 94.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -57.5 -49.54 75.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.034 0.445 . . . . 0.0 110.405 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.46 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 80.1 mt -59.62 -48.38 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.857 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.72 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 97.7 mttt -68.9 -33.31 73.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.66 -178.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -18.01 62.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 111.184 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 73.7 m80 -114.6 -11.31 12.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 10.6 ptm180 -54.16 -25.36 22.1 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -169.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 t -64.54 -38.29 90.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.053 0.454 . . . . 0.0 110.7 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -92.69 -15.11 27.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.126 0.965 . . . . 0.0 108.926 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -98.97 39.96 1.24 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.904 -1.498 . . . . 0.0 112.683 -171.625 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.822 ' HA ' ' HB2' ' A' ' 20' ' ' ASN . 55.8 mttp -47.04 104.47 0.05 Allowed 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 163.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.822 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 58.1 t30 88.4 14.32 0.08 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.892 2.077 . . . . 0.0 105.834 55.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 p -95.65 -162.61 0.97 Allowed 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 112.297 -2.229 . . . . 0.0 107.619 159.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -68.3 -9.39 47.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -55.71 -50.13 71.16 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 120.69 0.281 . . . . 0.0 111.292 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.54 80.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 110.325 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.87 -46.31 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.197 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.73 -33.56 68.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.724 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.506 ' CE3' ' HG3' ' A' ' 73' ' ' ARG . 8.8 m95 -76.79 -50.65 13.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 110.951 176.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.4 m -63.08 -47.5 82.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.203 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -56.56 -45.45 81.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.272 -175.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.493 ' HB ' HD13 ' A' ' 70' ' ' LEU . 8.3 p -62.76 -44.23 96.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.754 0.311 . . . . 0.0 111.722 -178.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.0 mt -73.6 -44.8 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.126 0.488 . . . . 0.0 110.776 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.84 -38.37 78.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.912 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.7 m -82.7 -53.79 5.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.029 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -80.36 -50.41 10.18 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -174.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -85.66 -31.26 22.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.635 -170.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -45.26 -64.71 2.15 Favored Glycine 0 CA--C 1.524 0.63 0 O-C-N 123.793 0.683 . . . . 0.0 114.784 -175.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.27 -20.04 49.54 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.402 2.068 . . . . 0.0 113.72 -174.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -96.94 -73.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.658 -174.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 42' ' ' LEU . 32.7 pt -101.03 -3.03 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.43 -174.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.96 -63.54 4.93 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.767 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 7.2 Cg_exo -74.43 5.21 3.84 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.981 2.454 . . . . 0.0 113.344 -177.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 39' ' ' ILE . 55.8 mt -92.34 150.69 20.69 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m -57.95 128.9 39.41 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.579 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.99 -22.72 31.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.379 0.609 . . . . 0.0 111.129 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 33.7 tt0 -77.97 -24.35 48.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.316 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -97.53 -0.24 46.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.465 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.36 123.73 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.663 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.466 ' HB2' ' HG ' ' A' ' 51' ' ' LEU . 46.0 m-20 -96.65 168.57 10.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.787 -177.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -68.3 -39.27 82.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.064 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -61.86 -42.02 98.55 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.746 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' A' ' 48' ' ' ASP . 55.0 mt -59.08 -41.87 89.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.663 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.27 -42.41 90.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.0 -44.36 87.18 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 120.891 0.377 . . . . 0.0 110.517 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.14 -42.02 84.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.409 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 51' ' ' LEU . 61.3 t -70.16 -41.43 78.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.444 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.3 mt -79.18 -24.23 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.349 -174.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.625 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 12.8 t70 -46.5 -57.6 8.35 Favored Pre-proline 0 N--CA 1.474 0.742 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 55.8 Cg_endo -70.45 -11.94 30.77 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.855 1.703 . . . . 0.0 112.521 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.457 HG22 ' HB2' ' A' ' 67' ' ' ALA . 29.4 mt -91.78 -36.92 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.65 -178.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.507 ' O ' ' HG3' ' A' ' 64' ' ' PRO . 50.6 m95 -53.68 -34.05 57.42 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.074 0.464 . . . . 0.0 111.543 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -82.74 -40.69 20.2 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.701 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -84.83 -54.18 4.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.554 -174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -135.07 77.31 56.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.455 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HG3' ' O ' ' A' ' 60' ' ' TRP . 25.9 Cg_exo -60.84 -35.41 88.63 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.729 2.286 . . . . 0.0 111.868 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.56 -45.67 93.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.437 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.4 m -72.69 -33.9 66.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.81 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -61.87 -48.48 80.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.33 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -68.13 -33.39 74.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.899 0.381 . . . . 0.0 111.023 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -72.12 -33.24 67.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.82 177.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.493 HD13 ' HB ' ' A' ' 30' ' ' THR . 64.8 tp -65.95 -34.95 79.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.077 176.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -58.25 -38.54 77.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.58 -32.07 80.02 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.522 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.506 ' HG3' ' CE3' ' A' ' 27' ' ' TRP . 6.3 mpt_? -66.35 -51.98 51.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.974 0.416 . . . . 0.0 110.031 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.0 mt -67.3 -39.72 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.478 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' HA ' HD21 ' A' ' 91' ' ' ASN . 36.2 tt0 -58.01 -47.51 82.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.152 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.7 t -75.44 -32.47 60.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.966 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 73' ' ' ARG . 75.5 t -67.49 -44.53 86.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.669 0.271 . . . . 0.0 110.53 177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.535 HD13 ' HD2' ' A' ' 92' ' ' PRO . 99.0 mt -66.98 -33.8 76.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 0.0 110.336 176.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.66 -47.06 87.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.419 0.628 . . . . 0.0 109.804 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -63.17 -45.8 90.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.868 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -61.25 -35.19 76.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.671 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 89.7 m -62.56 -43.45 98.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.051 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.6 t -72.72 -40.51 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.723 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.591 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -72.32 -10.34 59.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.92 177.732 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.15 13.95 63.16 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.798 172.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.47 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 63.6 m-85 -68.81 -32.24 71.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.292 0.568 . . . . 0.0 109.945 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -150.09 152.72 35.22 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 170.637 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.07 176.13 8.97 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.121 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.98 99.41 0.06 OUTLIER Glycine 0 C--N 1.331 0.269 0 CA-C-N 115.954 -0.566 . . . . 0.0 114.457 -171.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' OD2' ' HD3' ' A' ' 92' ' ' PRO . 28.3 t70 -169.69 137.73 1.77 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.098 0.559 . . . . 0.0 109.778 174.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.441 HD21 ' HA ' ' A' ' 75' ' ' GLU . 22.9 t-20 -135.42 87.77 26.53 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.303 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.535 ' HD2' HD13 ' A' ' 78' ' ' LEU . 43.6 Cg_endo -67.94 -5.43 14.55 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.979 2.453 . . . . 0.0 113.159 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.13 -46.69 10.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.549 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 94' ' ' ARG . 26.5 ttp180 -72.1 132.09 43.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.556 0.693 . . . . 0.0 111.569 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.463 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 1.4 m-90 -120.34 148.94 43.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.063 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -102.83 -29.3 11.54 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -157.92 56.29 0.37 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.733 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.463 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 86.1 t80 -65.25 -41.56 94.17 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 173.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt -102.61 -66.35 0.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.047 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -165.62 148.11 7.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.115 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -83.2 94.68 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 109.615 172.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -127.26 127.88 45.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.118 -174.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -127.89 118.33 23.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.144 0.497 . . . . 0.0 111.604 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.34 126.08 18.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.526 173.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -82.24 -24.64 34.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.735 175.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 tpp . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.865 0.364 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 60.1 p -95.5 166.4 11.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.17 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.2 -40.34 89.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.294 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 m -63.51 -43.48 97.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 43.0 mt-10 -65.42 -48.13 73.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.845 0.355 . . . . 0.0 111.064 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.3 t -62.17 -43.44 98.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.213 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.15 89.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.622 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.79 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.062 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 87.8 mt -64.28 -41.63 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.484 177.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -62.59 -40.17 96.06 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.321 0.581 . . . . 0.0 109.938 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.97 -49.11 83.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.949 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.67 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 89.8 mttt -61.34 -32.85 72.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.848 0.356 . . . . 0.0 111.263 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.95 -10.35 56.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.63 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -129.27 4.59 5.21 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.67 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 11.5 ptm180 -65.69 -20.44 66.29 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.029 0.442 . . . . 0.0 110.807 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -69.73 -36.04 75.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.534 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -83.1 -30.75 27.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.229 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -88.27 21.54 2.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.84 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CD ' ' HA ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -102.3 130.74 49.09 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 174.012 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 26.5 t-20 -99.25 0.71 43.73 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 124.617 1.167 . . . . 0.0 111.573 13.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.7 p -56.82 162.15 2.52 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -83.18 10.91 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.958 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -58.67 -42.79 89.27 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 111.362 0.134 . . . . 0.0 111.362 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.9 -46.53 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.925 0.393 . . . . 0.0 110.76 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.68 -47.94 70.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -63.25 -30.56 71.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.059 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.566 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 6.4 m95 -61.04 -47.1 87.98 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.228 172.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -67.77 -41.43 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.171 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -54.74 -50.29 68.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.901 -173.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.474 HG22 HD13 ' A' ' 70' ' ' LEU . 14.6 m -68.42 -43.16 77.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.551 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.49 -41.5 88.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.964 0.411 . . . . 0.0 110.525 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -58.69 -37.57 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.314 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.5 m -79.7 -55.45 5.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.85 -173.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.22 -49.81 9.69 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.3 m -84.97 -32.25 23.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.506 -171.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.476 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -44.45 -63.82 2.28 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 123.758 0.661 . . . . 0.0 114.644 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.97 -18.1 63.38 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.905 2.403 . . . . 0.0 113.845 -175.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 t -108.2 -77.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.678 -175.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 42' ' ' LEU . 32.5 pt -94.92 3.52 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 111.512 -174.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -55.74 -63.99 4.79 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.968 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 10.4 Cg_exo -72.45 -5.78 17.8 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.92 2.413 . . . . 0.0 112.853 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 39' ' ' ILE . 73.0 mt -76.36 141.4 41.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.888 0.375 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.425 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 13.8 m -65.2 141.85 58.52 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.912 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.72 -24.47 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -83.86 -21.34 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.34 0.59 . . . . 0.0 110.291 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' A' ' 43' ' ' SER . 1.7 m-20 -88.86 -28.56 20.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.019 -175.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.549 ' HA ' HD12 ' A' ' 51' ' ' LEU . 61.4 t -65.73 116.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.805 0.336 . . . . 0.0 110.302 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.463 ' OD1' ' HG ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -113.33 -174.7 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.336 -179.482 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 53' ' ' MET . 25.6 m -59.97 -42.35 93.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.707 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -69.0 -40.09 78.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.725 0.297 . . . . 0.0 110.454 -175.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 47' ' ' VAL . 77.2 mt -61.7 -38.81 89.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.762 177.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.518 HD13 ' HB2' ' A' ' 93' ' ' ALA . 81.0 mt -68.93 -36.36 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.424 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 49' ' ' THR . 63.2 mtt -56.8 -45.13 82.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.762 176.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 40.4 mtpt -59.13 -36.53 75.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.383 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.63 -44.13 70.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.957 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.35 -30.15 57.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.556 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.7 t70 -48.3 -55.22 19.69 Favored Pre-proline 0 N--CA 1.472 0.673 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 60.6 Cg_endo -73.63 -14.14 24.67 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.968 1.779 . . . . 0.0 112.976 -179.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.9 mt -80.41 -31.02 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 122.326 -0.234 . . . . 0.0 110.446 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -61.28 -24.41 66.38 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.094 0.473 . . . . 0.0 110.552 175.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 7.5 mm-40 -69.9 -46.94 64.33 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.741 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HG2' ' HG3' ' A' ' 63' ' ' LYS . 35.1 tt0 -87.82 -59.07 2.35 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.142 -173.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.532 ' HB2' ' HB ' ' A' ' 66' ' ' THR . 21.9 mtpp -137.83 86.93 17.46 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.99 -171.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.57 -50.03 15.46 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.038 2.492 . . . . 0.0 113.617 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 36.3 tt0 -66.41 -35.72 81.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.005 0.431 . . . . 0.0 110.44 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 63' ' ' LYS . 80.2 m -69.98 -32.73 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.645 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.33 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.487 . . . . 0.0 109.922 173.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 m -68.98 -41.57 77.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.678 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.504 ' HE ' ' HA ' ' A' ' 66' ' ' THR . 82.0 mtm180 -68.51 -34.71 76.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.357 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 74' ' ' ILE . 58.7 tp -66.45 -45.83 78.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -39.41 84.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.403 178.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.67 -43.74 98.68 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.595 -0.729 . . . . 0.0 113.035 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.566 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 18.4 ptp180 -72.93 -34.23 66.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.148 0.474 . . . . 0.0 110.818 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 70' ' ' LEU . 77.9 mt -59.6 -39.79 80.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 110.605 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HA ' HD21 ' A' ' 91' ' ' ASN . 35.8 tt0 -54.98 -48.16 73.62 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.445 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.2 m -62.59 -36.34 82.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.683 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.7 t -71.19 -49.17 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.12 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.439 HD13 ' HG2' ' A' ' 92' ' ' PRO . 88.9 mt -64.44 -42.42 95.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.707 -176.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -68.77 -29.22 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.173 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -69.51 -40.15 77.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.026 0.441 . . . . 0.0 110.169 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -59.48 -36.71 76.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.174 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.63 HG21 ' HA2' ' A' ' 89' ' ' GLY . 29.7 m -63.42 -42.56 98.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.013 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 79' ' ' ASP . 66.9 t -62.25 -39.02 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.046 0.451 . . . . 0.0 110.255 177.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -76.86 -6.09 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.587 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.09 29.76 56.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.841 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.42 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 42.6 m-85 -84.31 -26.86 28.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.358 . . . . 0.0 110.568 176.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -146.42 175.19 10.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.561 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -79.4 167.65 20.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.654 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.63 ' HA2' HG21 ' A' ' 82' ' ' THR . . . -72.74 169.99 51.77 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.91 -0.586 . . . . 0.0 113.766 -175.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 48.9 t0 65.58 124.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 122.33 1.062 . . . . 0.0 111.306 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.411 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 30.6 t-20 -84.01 139.42 39.82 Favored Pre-proline 0 C--N 1.316 -0.881 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.916 -167.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.439 ' HG2' HD13 ' A' ' 78' ' ' LEU . 57.6 Cg_endo -74.39 -21.38 17.42 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.661 2.241 . . . . 0.0 112.563 175.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.518 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -95.39 11.95 30.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.903 0.382 . . . . 0.0 110.621 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 95' ' ' TRP . 65.7 ttt180 -65.25 -73.88 0.12 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.143 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.421 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 1.6 m-90 72.11 132.62 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.872 0.844 . . . . 0.0 112.637 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 96' ' ' ARG . 45.4 mtp180 -98.83 -32.73 11.2 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.513 174.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.01 75.14 0.18 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.022 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -70.16 -59.39 2.92 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.5 mt -105.13 -31.87 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.488 0.661 . . . . 0.0 109.277 171.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' ' 101' ' ' HIS . 17.0 tt0 -177.37 176.12 1.36 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.11 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.403 ' H ' ' HG2' ' A' ' 100' ' ' GLU . 28.2 p-80 -89.32 60.29 5.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.478 0.656 . . . . 0.0 111.086 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -68.24 116.21 8.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.272 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -120.07 -140.54 0.34 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.732 -172.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -62.72 76.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 112.302 -177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 175.39 90.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.251 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.405 -0.807 . . . . 0.0 110.234 -178.306 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.446 0.165 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 53.0 p -103.09 165.59 10.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -64.47 -40.63 96.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.252 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -59.23 -47.39 85.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.72 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 47.4 mt-10 -61.57 -49.55 76.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.994 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 33.7 t -63.08 -47.71 81.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.986 -175.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.85 81.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.875 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.68 96.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 83.0 mt -63.04 -39.34 94.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.919 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -57.61 -49.76 75.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.331 0.586 . . . . 0.0 110.695 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.56 -46.74 79.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.912 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 58.2 mtpt -65.69 -34.01 77.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.54 -34.1 65.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 0.0 111.378 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -96.47 0.05 49.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.731 0.301 . . . . 0.0 110.628 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.574 ' HA ' ' HB2' ' A' ' 18' ' ' TRP . 13.3 ptm180 -66.2 -24.5 66.63 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 120.65 0.262 . . . . 0.0 110.783 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -57.28 -42.73 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.154 0.502 . . . . 0.0 110.421 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 m -86.98 -8.41 57.23 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.574 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 36.5 m0 -101.01 27.16 6.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.23 -178.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.583 ' HB2' ' OG1' ' A' ' 21' ' ' THR 0.312 19.2 mtmt 74.38 -152.41 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 117.23 -1.367 . . . . 0.0 109.905 176.256 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.469 ' C ' ' CB ' ' A' ' 19' ' ' LYS . 92.6 m-20 -51.47 94.81 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 121.307 3.817 . . . . 0.0 121.307 68.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.583 ' OG1' ' HB2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -128.49 134.93 48.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.356 154.78 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HE3' ' HB2' ' A' ' 22' ' ' LYS . 18.3 ptmt -74.4 -3.81 32.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -166.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.469 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 28.2 p-80 -57.96 -29.46 65.22 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.761 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.52 80.61 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.184 0.516 . . . . 0.0 110.48 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -67.18 -42.61 83.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.126 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -58.63 -38.22 77.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.584 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.469 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 16.2 m95 -58.45 -52.0 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.973 0.416 . . . . 0.0 110.514 174.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -64.99 -45.47 85.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.557 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -58.79 -46.36 87.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.243 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 p -70.78 -47.24 60.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.457 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.23 -41.31 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.151 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -37.44 76.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.243 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.6 m -81.88 -52.48 7.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.602 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -79.84 -49.7 11.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.6 m -94.01 -23.34 18.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -171.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.71 -64.73 3.49 Favored Glycine 0 CA--C 1.523 0.538 0 O-C-N 123.494 0.496 . . . . 0.0 113.843 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.16 -4.99 10.1 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.923 2.416 . . . . 0.0 113.764 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.71 -65.81 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.564 0.221 . . . . 0.0 111.544 -176.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.501 ' HA ' HD12 ' A' ' 42' ' ' LEU . 29.9 pt -114.69 3.6 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -173.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.98 -63.99 4.76 Favored Glycine 0 CA--C 1.526 0.727 0 O-C-N 123.299 0.375 . . . . 0.0 113.898 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.48 3.95 5.92 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.656 2.237 . . . . 0.0 113.41 -178.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 39' ' ' ILE . 87.2 mt -82.13 163.69 21.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 46.6 t -70.27 150.8 46.0 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.075 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 87' ' ' ARG . 11.8 p -66.55 -18.86 24.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.205 0.526 . . . . 0.0 110.584 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.487 ' HB3' ' HB2' ' A' ' 87' ' ' ARG . 3.3 pt20 -103.77 -9.35 19.13 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 122.06 -0.4 . . . . 0.0 111.548 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.541 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 5.1 m-20 -93.0 4.78 53.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 175.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.95 104.36 2.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 171.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.491 ' H ' HD12 ' A' ' 51' ' ' LEU . 55.7 m-20 -88.77 165.32 14.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.451 0.643 . . . . 0.0 111.533 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 53' ' ' MET . 23.0 m -66.97 -41.36 86.96 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.815 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 53' ' ' MET . 2.6 tmtm? -69.67 -32.69 71.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.428 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.498 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 43.6 mt -65.95 -38.63 89.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.301 . . . . 0.0 111.084 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 48' ' ' ASP . 43.4 mt -68.38 -34.38 65.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.921 0.391 . . . . 0.0 110.327 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.429 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.3 mtt -55.5 -41.86 73.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.723 175.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 51' ' ' LEU . 26.6 mtpp -56.07 -38.15 70.28 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.122 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 59' ' ' ILE . 39.9 t -77.98 -48.22 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.86 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.4 mt -72.42 -37.0 68.73 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -170.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 16.9 t70 -51.43 -55.19 31.26 Favored Pre-proline 0 N--CA 1.472 0.627 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -173.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 37.1 Cg_endo -68.49 -23.26 37.61 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.173 1.915 . . . . 0.0 112.386 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 55' ' ' VAL . 57.0 mt -73.88 -25.86 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.598 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.541 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 85.1 m95 -60.33 -26.36 66.51 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.732 0.301 . . . . 0.0 111.4 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -81.68 -31.7 32.12 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.782 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 62' ' ' GLN . 15.8 mm-40 -90.63 -58.45 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.421 -176.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -140.4 85.15 13.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.8 -175.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.85 -37.33 94.33 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.33 2.02 . . . . 0.0 112.329 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.02 -46.23 88.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.405 0.621 . . . . 0.0 110.34 178.057 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.0 m -71.41 -34.44 70.35 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.064 -177.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.76 96.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.97 0.414 . . . . 0.0 110.907 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.5 p -71.43 -34.84 70.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 48.3 mtp180 -71.97 -35.06 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.343 . . . . 0.0 111.155 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.63 -39.98 93.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.141 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -56.34 -46.35 79.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.644 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.02 -40.38 95.17 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.729 -0.668 . . . . 0.0 113.178 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -71.61 -33.92 69.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.127 0.464 . . . . 0.0 110.834 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.33 -44.03 97.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.15 -43.73 70.83 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -60.28 -40.96 92.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.339 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.1 -48.76 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.094 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.444 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 87.4 mt -60.41 -41.84 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.81 -43.6 95.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.834 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -59.4 -47.01 87.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.746 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -62.83 -35.97 81.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.252 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.402 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 55.2 m -62.72 -47.45 83.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.439 0.161 . . . . 0.0 110.695 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.64 -44.02 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.927 0.394 . . . . 0.0 110.708 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -68.72 -25.5 64.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.29 30.44 8.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.724 . . . . 0.0 113.036 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -100.6 1.61 40.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.942 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.549 ' HB3' HG13 ' A' ' 44' ' ' VAL . 8.9 ptm180 -163.73 174.41 11.68 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.45 -179.03 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.937 0.399 . . . . 0.0 111.339 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.402 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -94.27 25.39 22.61 Favored Glycine 0 C--N 1.33 0.21 0 N-CA-C 115.025 0.77 . . . . 0.0 115.025 -167.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -116.01 140.02 49.68 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 117.188 0.494 . . . . 0.0 110.494 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -119.45 90.22 42.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.623 0.249 . . . . 0.0 111.065 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.33 -10.63 11.25 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.671 2.914 . . . . 0.0 113.824 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.17 -9.24 58.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 110.639 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -95.2 131.4 41.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 172.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.766 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -123.25 128.76 50.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -167.786 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -115.61 -15.89 11.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.706 168.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.55 44.36 1.27 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.75 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.766 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 18.8 t80 -110.15 133.11 53.55 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.0 mt 49.01 51.67 15.75 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 123.697 0.623 . . . . 0.0 110.804 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.59 93.39 0.16 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.654 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -147.98 88.99 1.7 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.554 -173.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.07 97.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.842 -175.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -121.91 117.24 25.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.006 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -65.15 -61.39 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.058 -172.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -85.29 116.83 23.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.981 0.42 . . . . 0.0 111.047 -172.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 52.6 m80 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.992 179.205 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 tpp . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.893 0.378 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.9 p -95.52 164.14 12.92 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.17 -40.0 92.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.4 m -58.8 -46.91 86.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.634 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.8 mt-10 -62.33 -48.91 77.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -63.33 -46.79 85.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.41 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.86 98.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.731 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.83 94.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.01 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 72.1 mt -64.15 -41.74 97.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.713 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -57.85 -45.7 85.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.134 0.492 . . . . 0.0 110.211 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.43 HG23 ' HZ3' ' A' ' 18' ' ' TRP . 99.3 mt -69.83 -49.82 54.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.327 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.647 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 55.0 tttm -65.59 -34.89 79.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.58 -175.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.36 2.65 20.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.2 -0.312 . . . . 0.0 111.449 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -136.7 6.17 2.93 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 111.4 0.148 . . . . 0.0 111.4 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 13.9 ptm180 -64.29 -39.72 94.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 0.0 110.789 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 m -71.16 -21.09 62.22 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.193 0.52 . . . . 0.0 110.8 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -80.63 -40.19 26.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.242 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.454 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 54.9 m0 -76.8 -31.29 56.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.443 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.909 ' HB3' ' CB ' ' A' ' 20' ' ' ASN 0.276 73.0 mmtt 77.06 -160.38 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 115.752 -2.071 . . . . 0.0 108.244 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.909 ' CB ' ' HB3' ' A' ' 19' ' ' LYS . 25.7 t-20 77.15 125.43 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.859 1 CA-C-N 126.344 4.156 . . . . 0.0 108.4 59.388 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p 66.87 170.92 0.25 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.133 1.373 . . . . 0.0 111.624 -171.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -83.97 12.48 6.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.413 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -45.9 92.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.678 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -35.29 79.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.134 0.493 . . . . 0.0 110.477 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.27 -46.87 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.893 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -57.38 -40.55 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.641 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.536 ' CE3' ' HG3' ' A' ' 73' ' ' ARG . 40.4 m95 -60.0 -51.25 70.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.778 0.323 . . . . 0.0 111.01 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 m -69.91 -46.68 64.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.615 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.82 -49.83 76.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.022 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.582 HG22 HD13 ' A' ' 70' ' ' LEU . 13.3 m -65.77 -46.72 77.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.591 0.234 . . . . 0.0 111.298 -175.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.8 mt -64.41 -45.01 97.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.807 0.337 . . . . 0.0 110.837 -178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -58.8 -38.28 78.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.43 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.0 m -82.54 -53.5 5.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.002 -172.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -81.12 -49.17 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 70' ' ' LEU . 62.9 m -81.73 -27.37 33.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -174.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.52 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -46.59 -64.1 2.78 Favored Glycine 0 CA--C 1.527 0.809 0 O-C-N 123.758 0.661 . . . . 0.0 114.432 -176.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -63.14 -9.41 17.11 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.895 2.397 . . . . 0.0 114.367 -174.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.4 t -115.59 -78.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.467 -177.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.573 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.6 pt -93.57 -5.62 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.541 -173.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.85 -63.61 4.38 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 123.586 0.554 . . . . 0.0 113.623 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 4.4 Cg_exo -80.83 5.64 6.05 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.979 2.452 . . . . 0.0 113.012 -178.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.3 mt -87.57 156.75 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 m -61.13 135.91 57.91 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.637 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.31 -24.98 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.703 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -80.3 -34.44 36.85 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.26 -18.43 62.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.987 -175.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 51' ' ' LEU . 60.8 t -62.21 108.5 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -122.76 -173.34 2.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.572 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.469 ' OG1' ' HB3' ' A' ' 92' ' ' PRO . 6.9 m -58.93 -42.18 89.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.748 -176.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.14 -45.39 94.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.138 0.494 . . . . 0.0 110.609 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 47' ' ' VAL . 85.7 mt -65.74 -39.79 91.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.077 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -69.48 -41.14 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.1 mtt -59.45 -41.33 89.4 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.458 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 39.9 mtpt -56.74 -37.92 71.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.312 . . . . 0.0 111.37 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.98 -49.2 40.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.98 -33.82 63.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -172.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.572 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 11.1 t70 -48.25 -56.21 15.14 Favored Pre-proline 0 N--CA 1.47 0.55 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 58.0 Cg_endo -72.83 -16.16 26.34 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 121.866 1.711 . . . . 0.0 113.056 -178.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mt -78.4 -29.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.219 -0.192 . . . . 0.0 110.802 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -57.44 -32.89 67.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.847 0.356 . . . . 0.0 111.699 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -77.9 -32.74 51.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.65 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -91.11 -56.68 3.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.602 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -141.25 80.32 16.82 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.256 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.62 -44.0 34.93 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.923 2.415 . . . . 0.0 113.03 -174.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -62.48 -40.08 95.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.162 0.505 . . . . 0.0 110.668 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -65.91 -36.25 82.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.89 98.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.891 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.448 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 11.1 t -69.2 -39.9 78.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.95 -35.66 79.09 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.582 HD13 HG22 ' A' ' 30' ' ' THR . 62.9 tp -63.24 -39.23 94.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.321 176.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HE ' ' HA ' ' A' ' 68' ' ' SER . 40.8 mtm105 -59.22 -41.57 88.95 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.166 176.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.39 -37.67 93.52 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.163 -0.542 . . . . 0.0 112.048 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.536 ' HG3' ' CE3' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -63.92 -50.24 69.49 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.602 0.239 . . . . 0.0 110.425 175.598 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 56.2 mt -66.29 -44.07 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -177.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HA ' HD21 ' A' ' 91' ' ' ASN . 36.5 tt0 -55.26 -47.95 74.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -66.08 -36.89 84.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.293 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 73' ' ' ARG . 89.4 t -70.62 -44.37 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.732 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 70.3 mt -64.33 -38.66 91.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.727 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.55 -46.99 87.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.044 0.449 . . . . 0.0 110.305 175.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.436 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 70.3 t90 -60.93 -47.15 87.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.167 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.68 -31.06 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.308 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.457 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 96.6 m -65.94 -49.26 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.614 176.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.9 t -66.99 -32.04 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 25.9 mmm180 -80.75 -11.54 59.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.44 35.53 32.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.208 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -96.24 -19.12 19.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.854 0.359 . . . . 0.0 110.619 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -153.63 176.37 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.59 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.6 169.31 17.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.277 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.457 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -86.39 16.44 44.49 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.91 -0.586 . . . . 0.0 114.344 -170.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 24.5 t70 -98.15 133.69 42.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.412 HD21 ' HA ' ' A' ' 75' ' ' GLU . 44.6 t-20 -116.29 89.33 25.91 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.539 -175.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HB3' ' OG1' ' A' ' 49' ' ' THR . 16.2 Cg_exo -68.04 -3.89 11.48 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.359 2.706 . . . . 0.0 113.409 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.56 -14.02 55.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.243 0.544 . . . . 0.0 110.462 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -105.85 131.74 52.81 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.898 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.423 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 1.4 m-90 -117.24 148.12 41.92 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.11 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -104.62 -20.19 13.74 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -128.62 -88.13 0.56 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.912 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 31.5 t80 60.98 -73.76 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.741 0.816 . . . . 0.0 112.395 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.06 -35.33 79.61 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.11 -176.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 71.58 -66.3 0.31 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.832 0.707 . . . . 0.0 112.13 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -67.57 109.25 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.077 0.465 . . . . 0.0 110.567 -175.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -93.89 139.85 30.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.631 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -121.7 111.99 17.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.973 172.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -89.71 81.27 6.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -122.06 140.11 52.9 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.238 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.9 p80 . . . . . 0 C--O 1.247 0.947 0 O-C-N 124.162 0.914 . . . . 0.0 111.182 -171.638 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.0 tpp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p -95.62 170.12 9.55 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.49 -36.88 83.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.867 0.365 . . . . 0.0 110.064 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 t -63.57 -43.65 96.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.241 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 38.7 mt-10 -64.7 -49.47 70.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.078 0.466 . . . . 0.0 111.056 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 t -65.46 -39.94 92.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.938 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.41 85.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.523 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.32 75.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.995 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 92.7 mt -67.63 -41.2 84.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.38 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -56.83 -46.78 81.47 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.38 0.609 . . . . 0.0 109.737 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 97.0 mt -59.63 -48.57 86.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.08 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 60.6 mttm -60.57 -40.46 91.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.635 0.255 . . . . 0.0 111.658 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.68 -4.72 24.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.775 0.321 . . . . 0.0 111.735 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -128.71 9.97 5.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.83 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 18.6 mmm180 -59.67 -39.44 84.5 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.208 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -59.33 -34.96 72.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.078 0.466 . . . . 0.0 111.165 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 m -82.19 -15.96 51.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.713 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.0 m0 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.98 -174.578 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 21.0 mtpt . . . . . 0 N--CA 1.457 -0.112 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.493 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 69.0 m-70 -62.92 -42.23 99.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.22 84.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.23 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.61 -45.61 86.13 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.406 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -58.26 -42.16 85.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.462 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.493 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 23.6 m95 -60.29 -51.53 69.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.719 0.295 . . . . 0.0 110.394 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -61.14 -48.8 79.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.992 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.4 -46.82 84.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.992 -173.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m -60.93 -48.1 83.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.811 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.43 -44.6 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.791 -178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 4.1 ttpm? -59.62 -34.91 73.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.5 m -82.37 -53.03 6.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.821 -175.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -79.32 -49.24 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -95.37 -15.97 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.329 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 32' ' ' LYS . . . -54.64 -64.62 4.16 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.877 -0.601 . . . . 0.0 114.108 -175.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.0 -7.93 14.74 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.783 2.322 . . . . 0.0 113.473 -176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 t -107.57 -71.61 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 0.0 111.442 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.9 pt -107.23 -0.4 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.531 -174.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.52 -63.59 4.78 Favored Glycine 0 CA--C 1.522 0.488 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.321 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.87 5.17 5.86 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.662 2.241 . . . . 0.0 112.988 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 39' ' ' ILE . 85.9 mt -87.92 155.59 19.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.528 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 39.5 t -63.86 137.76 58.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.573 0.225 . . . . 0.0 110.448 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.18 -18.87 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.398 0.618 . . . . 0.0 110.13 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.902 HE21 ' HA ' ' A' ' 87' ' ' ARG . 32.8 tt0 -85.03 -32.05 23.11 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.185 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 4.1 m-20 -91.24 10.2 28.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.919 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 43' ' ' SER . 96.3 t -70.23 120.74 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.414 ' H ' HD12 ' A' ' 51' ' ' LEU . 26.8 t70 -115.18 163.59 15.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.99 0.424 . . . . 0.0 111.094 -175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -61.14 -37.83 84.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.567 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 7.8 ttmm -58.16 -45.37 87.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.2 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 55' ' ' VAL . 79.5 mt -63.77 -41.69 97.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.847 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 93' ' ' ALA . 60.8 mt -68.11 -43.12 85.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.844 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 72.8 mtm -64.89 -34.18 77.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.056 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 55.9 mtpt -60.83 -37.1 80.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.048 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 51' ' ' LEU . 40.2 t -77.25 -49.27 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.1 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.38 -36.0 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -171.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.658 ' HA ' ' HD1' ' A' ' 60' ' ' TRP . 7.7 t70 -56.93 -52.79 71.3 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -173.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 52.0 Cg_exo -52.66 -38.01 75.82 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.262 1.974 . . . . 0.0 112.663 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 55' ' ' VAL . 57.3 mt -67.61 -33.09 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.332 -175.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.658 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 91.5 m95 -57.37 -34.34 68.74 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 111.41 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -67.11 -44.8 79.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.542 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -91.79 -53.24 4.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.015 -175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -133.65 79.55 58.8 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.795 -173.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.21 -32.9 50.99 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.364 2.043 . . . . 0.0 111.744 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.52 -43.67 93.31 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.274 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.8 m -68.83 -37.65 79.32 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.731 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.48 97.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.604 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.0 m -63.85 -45.24 90.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.639 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -67.19 -40.32 86.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.891 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 74' ' ' ILE . 56.5 tp -67.82 -37.82 82.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.685 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.453 ' HD2' ' O ' ' A' ' 71' ' ' ARG . 2.6 tmm_? -59.22 -40.95 87.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.85 -38.9 96.8 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.289 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 77' ' ' VAL . 92.4 mtt180 -64.78 -43.72 92.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.583 0.23 . . . . 0.0 110.777 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 70' ' ' LEU . 68.8 mt -60.54 -41.55 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.601 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -47.79 84.11 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.476 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.8 m -62.81 -40.47 97.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.913 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 73' ' ' ARG . 94.1 t -69.62 -47.49 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.051 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.557 HD13 ' HD2' ' A' ' 92' ' ' PRO . 85.3 mt -67.05 -34.17 77.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.278 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 83' ' ' VAL . 10.1 t70 -62.27 -46.4 88.96 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.427 ' CZ2' ' HG3' ' A' ' 84' ' ' ARG . 90.7 t90 -61.44 -44.71 96.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.461 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -36.7 77.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.396 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.4 m -66.6 -43.11 85.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.74 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 79' ' ' ASP . 59.8 t -65.61 -42.83 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.073 0.463 . . . . 0.0 110.658 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HG3' ' CZ2' ' A' ' 80' ' ' TRP . 9.6 mmm180 -69.28 -25.58 64.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.701 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.24 56.51 1.57 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.136 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -123.08 8.46 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.902 ' HA ' HE21 ' A' ' 45' ' ' GLN . 8.2 ptm85 -167.92 -39.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 121.205 -0.198 . . . . 0.0 111.502 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.47 177.65 0.08 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.48 0.712 . . . . 0.0 112.397 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.19 -126.26 7.3 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.814 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -137.49 -176.03 4.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -101.08 143.13 26.0 Favored Pre-proline 0 N--CA 1.441 -0.917 0 CA-C-O 120.93 0.395 . . . . 0.0 111.886 -172.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.557 ' HD2' HD13 ' A' ' 78' ' ' LEU . 69.3 Cg_endo -78.37 -13.19 15.27 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.595 2.196 . . . . 0.0 111.739 175.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.509 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -98.76 6.83 46.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.557 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -66.88 -54.19 24.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.101 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 67.25 119.98 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.605 0.717 . . . . 0.0 112.271 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -88.98 9.03 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.742 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 150.68 84.81 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.074 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -91.24 157.06 17.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 123.096 0.558 . . . . 0.0 111.458 -175.15 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 ttm . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.127 0.489 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 47.9 p -83.84 171.28 13.25 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.048 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -67.09 -34.55 77.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -59.26 -47.22 86.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.185 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 38.5 mt-10 -63.85 -49.72 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.213 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.1 -49.35 72.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.249 -175.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 11' ' ' ILE . . . -57.71 -44.29 85.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.821 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.36 94.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.318 . . . . 0.0 110.689 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 82.0 mt -63.29 -43.08 98.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.654 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -60.71 -46.95 88.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.568 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.687 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 91.1 mt -58.41 -44.72 89.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.83 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 86.1 mttt -71.02 -37.86 72.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.636 0.255 . . . . 0.0 111.206 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.39 -40.45 64.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.594 -176.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -103.85 12.93 33.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.742 0.306 . . . . 0.0 111.042 -173.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.687 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 16.3 ptm180 -67.29 -30.51 70.39 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.608 -177.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -74.82 -14.44 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.165 0.507 . . . . 0.0 110.626 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -83.2 -12.53 56.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.414 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 16.7 m0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.78 179.566 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.209 0.528 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -62.34 -31.82 72.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.706 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.9 76.21 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.89 0.376 . . . . 0.0 110.623 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.54 -45.52 65.36 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.202 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -58.42 -31.32 67.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.455 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.576 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 16.5 m95 -77.11 -52.71 8.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.871 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.5 m -65.7 -46.97 76.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.98 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -55.25 -49.33 72.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.705 -175.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 p -73.45 -41.28 63.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.584 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.95 -39.83 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.637 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.96 -37.41 76.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.97 0.414 . . . . 0.0 110.553 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.1 m -81.1 -52.02 7.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.033 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.53 -50.22 11.96 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.8 m -92.07 -24.24 19.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.09 -64.48 3.53 Favored Glycine 0 CA--C 1.525 0.709 0 O-C-N 123.648 0.592 . . . . 0.0 114.105 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.98 -16.06 40.51 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.567 2.178 . . . . 0.0 113.384 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG11 HG22 ' A' ' 55' ' ' VAL . 40.5 t -91.9 -68.05 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.409 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.509 ' HA ' HD12 ' A' ' 42' ' ' LEU . 24.1 pt -113.95 5.39 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.476 -175.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.4 -63.96 4.61 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.295 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.39 1.18 8.66 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.77 2.313 . . . . 0.0 113.031 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 39' ' ' ILE . 82.1 mt -83.69 146.27 28.31 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 20.7 t -65.01 146.21 55.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.871 0.367 . . . . 0.0 110.513 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -64.95 -21.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.307 0.575 . . . . 0.0 109.605 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.439 HE21 ' HA ' ' A' ' 87' ' ' ARG . 1.5 tm0? -72.58 -39.69 67.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.368 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 43' ' ' SER . 27.9 m-20 -73.75 -16.09 61.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -174.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.467 ' HB ' ' NH2' ' A' ' 87' ' ' ARG . 62.1 t -59.0 111.15 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.113 0.482 . . . . 0.0 110.892 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 52' ' ' ILE . 10.9 t70 -122.25 165.51 16.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.357 -176.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 53' ' ' MET . 1.2 m -53.89 -42.68 68.93 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.704 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.63 -44.93 96.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.152 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 55' ' ' VAL . 84.2 mt -67.91 -42.13 81.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.334 -176.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 48' ' ' ASP . 64.0 mt -59.64 -40.51 82.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.841 0.353 . . . . 0.0 110.589 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' A' ' 49' ' ' THR . 65.6 mtt -59.53 -40.17 86.31 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.477 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.987 ' HE2' ' HA ' ' A' ' 54' ' ' LYS . 8.9 mmpt? -70.14 -37.26 75.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.556 HG22 HG11 ' A' ' 38' ' ' VAL . 48.7 t -61.38 -44.66 98.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.171 0.51 . . . . 0.0 110.425 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.4 mt -79.1 -24.48 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.123 -175.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.562 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 5.3 t0 -48.61 -57.79 10.03 Favored Pre-proline 0 N--CA 1.47 0.564 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -173.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 69.7 Cg_endo -73.55 -14.7 24.82 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.012 1.808 . . . . 0.0 111.972 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mm -79.59 -35.01 16.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.359 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -59.66 -25.64 64.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 111.524 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.52 -30.84 33.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.515 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -100.61 -51.45 3.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.435 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.37 80.15 40.43 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.076 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.44 -51.64 7.01 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.822 2.348 . . . . 0.0 113.037 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.535 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 3.7 mp0 -62.27 -39.42 92.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 120.877 0.37 . . . . 0.0 110.503 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.3 m -66.67 -36.26 82.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.813 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.11 -41.7 88.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.122 0.487 . . . . 0.0 110.258 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 m -68.26 -43.17 78.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.541 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 44.0 mtp180 -66.75 -41.01 88.48 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 74' ' ' ILE . 68.0 tp -63.0 -43.7 98.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.065 177.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -59.16 -38.77 80.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.144 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.13 -39.67 97.46 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.036 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.576 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 66.3 mtm180 -71.36 -37.52 71.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.839 0.352 . . . . 0.0 110.263 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 70' ' ' LEU . 74.2 mt -60.62 -40.82 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.116 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.67 -44.29 81.25 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.831 176.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.21 -39.69 95.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.515 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 73' ' ' ARG . 61.0 t -67.72 -49.28 71.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.938 0.399 . . . . 0.0 110.759 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.55 -32.01 72.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.55 -47.56 85.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.246 0.546 . . . . 0.0 109.625 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -61.21 -43.91 98.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.294 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -60.39 -36.42 78.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.1 m -66.27 -44.21 84.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.61 -36.68 75.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.677 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.49 -24.95 63.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.705 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.89 26.31 13.05 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.49 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.425 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 15.3 m-85 -88.18 -6.28 57.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.272 0.558 . . . . 0.0 109.674 177.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.467 ' NH2' ' HB ' ' A' ' 47' ' ' VAL . 6.2 ptp180 -161.29 166.9 26.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.201 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.68 169.18 17.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.866 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.97 -123.56 7.88 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.707 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -125.93 170.5 11.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 58.7 t30 -101.36 91.95 2.39 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 0.0 111.193 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 37.9 Cg_endo -62.01 5.19 0.23 Allowed 'Trans proline' 0 N--CA 1.481 0.779 0 C-N-CA 124.338 3.359 . . . . 0.0 114.705 -171.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.54 -23.51 20.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -82.37 -48.23 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -174.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 67.36 144.29 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.568 0.699 . . . . 0.0 112.656 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -87.01 -30.58 21.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.661 0.743 . . . . 0.0 109.547 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.23 94.16 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.378 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.409 ' HD1' ' HG ' ' A' ' 99' ' ' LEU . 3.7 t80 -60.0 -63.2 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.316 . . . . 0.0 110.928 -174.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.409 ' HG ' ' HD1' ' A' ' 98' ' ' TYR . 91.1 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 121.117 0.484 . . . . 0.0 111.026 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.96 0.41 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 55.9 p -96.45 169.05 10.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.158 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.89 -43.03 99.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.491 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.1 m -60.92 -46.82 89.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.037 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.6 mt-10 -61.12 -47.06 88.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.129 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.684 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 11.9 t -63.98 -46.6 83.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.774 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.29 77.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.391 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -59.72 -41.92 91.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.255 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 93.0 mt -61.07 -44.77 96.87 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.977 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -57.94 -47.12 83.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.383 0.611 . . . . 0.0 110.044 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -59.96 -48.84 86.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.033 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 92.9 mttt -62.15 -39.15 91.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.316 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.91 -25.46 65.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.949 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -123.21 20.09 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.859 0.362 . . . . 0.0 111.048 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 12' ' ' LYS . 8.8 ptm180 -75.37 -31.2 60.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.162 -173.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m -70.7 -22.62 62.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.147 0.499 . . . . 0.0 110.91 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -80.06 -24.28 40.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.84 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.9 m0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.441 176.457 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB3' ' HE3' ' A' ' 22' ' ' LYS . 29.1 mtpp . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.83 0.348 . . . . 0.0 111.835 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.44 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 85.0 m-70 -64.29 -39.03 93.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.023 175.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.9 82.44 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.968 0.414 . . . . 0.0 110.55 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 9.9 t70 -62.44 -51.88 65.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.689 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 14.6 mm-40 -60.41 -38.49 84.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.924 -177.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.44 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 11.5 m95 -58.14 -51.26 70.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.39 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -69.1 -45.9 69.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.882 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 25' ' ' ASP . 8.7 t-20 -57.51 -44.28 84.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.706 -172.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 m -70.04 -50.16 44.04 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.857 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.28 -40.58 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.008 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -58.81 -37.07 75.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.425 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -81.88 -54.38 5.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.044 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.01 -50.16 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.6 m -85.98 -28.79 24.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.549 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -45.5 -63.92 2.55 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.658 -0.701 . . . . 0.0 114.34 -177.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.86 -17.72 14.54 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.052 2.501 . . . . 0.0 114.388 -176.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.9 t -117.43 -76.91 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.819 -176.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.554 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.9 pt -93.0 -2.64 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -171.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.65 -63.24 5.5 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.244 -0.503 . . . . 0.0 113.214 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.577 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 4.7 Cg_exo -77.8 5.31 5.37 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.933 2.422 . . . . 0.0 112.832 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 39' ' ' ILE . 72.6 mt -83.86 145.14 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 8.9 m -59.26 139.95 56.47 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 122.769 0.428 . . . . 0.0 111.016 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.85 -15.4 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 121.698 0.761 . . . . 0.0 110.538 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -86.78 -21.79 26.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.475 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -93.88 -31.28 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.118 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.546 ' HA ' HD12 ' A' ' 51' ' ' LEU . 92.5 t -53.34 110.5 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.86 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.9 174.32 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.766 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.602 ' O ' ' HG3' ' A' ' 53' ' ' MET . 4.8 m -66.37 -37.08 84.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.381 173.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -54.54 -46.55 73.62 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.055 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 47' ' ' VAL . 76.2 mt -65.3 -40.4 93.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.785 -177.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.594 HG21 HH11 ' A' ' 71' ' ' ARG . 82.9 mt -69.51 -33.99 59.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.31 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.2 mtt -54.78 -43.76 73.12 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 110.754 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.75 -38.01 89.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.016 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.66 -38.66 76.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.838 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.497 HD11 ' HD3' ' A' ' 71' ' ' ARG . 74.9 mt -77.53 -23.17 50.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.179 -175.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.598 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 15.1 t70 -45.23 -57.28 7.6 Favored Pre-proline 0 N--CA 1.472 0.657 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -175.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 56.0 Cg_endo -71.04 -10.5 27.63 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.194 1.929 . . . . 0.0 112.704 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.446 HD12 HD23 ' A' ' 56' ' ' LEU . 48.1 mt -88.56 -34.92 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.742 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -59.19 -31.23 68.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -70.61 -31.85 68.99 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -93.52 -61.54 1.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.169 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -145.93 87.11 6.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.898 -169.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.26 -35.26 98.87 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.819 2.346 . . . . 0.0 112.322 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -66.08 -38.66 88.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.977 0.417 . . . . 0.0 110.715 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.4 m -66.6 -36.94 83.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.173 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.29 98.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.1 m -62.97 -41.17 99.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.765 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.31 -32.47 73.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 74' ' ' ILE . 48.4 tp -69.08 -44.56 72.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.733 ' CZ ' ' HA ' ' A' ' 93' ' ' ALA . 12.3 mmm180 -63.87 -36.31 83.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.454 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.08 -39.49 97.18 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.911 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -71.51 -37.86 71.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.659 0.266 . . . . 0.0 110.792 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 70' ' ' LEU . 77.5 mt -63.16 -38.52 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.376 175.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.11 -48.1 71.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.624 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.2 m -62.4 -45.05 94.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.278 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.24 -49.36 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.287 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.519 HD13 ' HD2' ' A' ' 92' ' ' PRO . 81.7 mt -66.83 -36.87 83.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.369 -176.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.04 -42.41 63.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.66 -46.06 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.078 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.684 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -60.27 -35.59 75.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.081 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.507 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 49.0 m -65.8 -46.17 79.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.279 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.03 -39.58 84.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.985 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -73.18 -25.83 60.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.508 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.07 32.72 8.19 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.376 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -93.82 2.35 56.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.209 0.528 . . . . 0.0 110.156 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -167.46 -174.55 2.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.135 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -95.26 173.19 7.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.542 0.21 . . . . 0.0 110.622 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.507 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -83.29 110.76 3.31 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.942 -0.646 . . . . 0.0 113.859 -171.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -177.17 149.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.872 0.469 . . . . 0.0 110.012 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -121.7 88.09 46.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.519 ' HD2' HD13 ' A' ' 78' ' ' LEU . 16.2 Cg_exo -69.05 6.93 0.9 Allowed 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 123.544 2.83 . . . . 0.0 113.106 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.733 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -92.27 0.56 57.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -81.82 160.66 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.389 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.589 ' HZ2' ' HG2' ' A' ' 53' ' ' MET . 0.0 OUTLIER -159.71 118.77 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.723 0.297 . . . . 0.0 111.153 177.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -111.68 -15.76 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.048 175.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.79 98.4 0.18 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.789 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -146.94 -42.84 0.18 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.117 0.484 . . . . 0.0 110.116 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.691 -177.865 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 tpp . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.3 p -89.34 167.92 12.66 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.468 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -64.94 -42.7 94.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.197 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.1 m -62.52 -46.19 89.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.3 mt-10 -62.59 -48.05 81.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.07 -43.89 97.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.611 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.97 88.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.717 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.84 86.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.032 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 91.1 mt -62.34 -43.27 99.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.468 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.3 -44.19 92.53 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.03 0.443 . . . . 0.0 110.472 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.467 HD13 ' OG1' ' A' ' 28' ' ' THR . 92.5 mt -63.93 -46.18 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.62 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.3 mttt -70.91 -33.87 70.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.25 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.16 73.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.896 0.379 . . . . 0.0 110.469 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -105.73 14.75 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.856 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.62 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 19.7 ptt180 -64.95 -33.05 75.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 110.142 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -67.94 -34.32 76.37 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.174 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 m -73.27 -35.2 66.14 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.25 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.7 m0 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.95 -178.638 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.972 0.891 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -54.83 -34.01 62.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 113.888 -1.506 . . . . 0.0 110.826 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.14 -47.0 66.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.118 0.485 . . . . 0.0 111.126 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.59 -46.2 80.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.752 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.85 -39.53 81.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.361 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.592 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 2.0 m95 -60.6 -49.21 78.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.614 175.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.467 ' OG1' HD13 ' A' ' 11' ' ' ILE . 12.9 m -60.31 -49.39 77.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.595 -178.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.57 -48.91 79.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.483 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -63.09 -44.21 96.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.78 0.324 . . . . 0.0 111.305 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.47 -43.7 94.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.771 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -64.13 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -80.29 -53.73 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.903 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -80.55 -50.15 10.38 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.7 m -82.79 -25.35 32.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.498 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.491 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -47.76 -65.82 2.25 Favored Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.73 0.644 . . . . 0.0 114.292 -175.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.91 -25.01 74.18 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.731 2.288 . . . . 0.0 114.211 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 t -95.36 -51.22 11.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -172.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' A' ' 42' ' ' LEU . 28.1 pt -129.31 5.48 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.79 -64.84 3.84 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 116.388 -0.369 . . . . 0.0 113.752 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 3.4 Cg_exo -76.68 5.34 4.88 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.747 2.298 . . . . 0.0 112.585 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 39' ' ' ILE . 69.1 mt -86.47 159.63 19.25 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.591 ' OG ' ' HG2' ' A' ' 45' ' ' GLN . 15.2 t -64.87 142.06 58.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.533 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.556 HG22 ' HD2' ' A' ' 87' ' ' ARG . 14.5 p -64.53 -23.22 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.181 0.515 . . . . 0.0 110.585 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.591 ' HG2' ' OG ' ' A' ' 43' ' ' SER . 3.7 pt20 -87.96 -17.68 30.74 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 32.8 t70 -89.75 -17.11 28.86 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.873 0.368 . . . . 0.0 111.503 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.546 ' HA ' HD12 ' A' ' 51' ' ' LEU . 97.4 t -69.67 115.23 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.637 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -113.67 173.32 6.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.881 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -60.38 -37.42 80.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 33.0 ttmt -54.5 -45.34 73.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.746 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 47' ' ' VAL . 87.4 mt -67.67 -40.86 84.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.751 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.56 HG21 HH22 ' A' ' 71' ' ' ARG . 79.1 mt -64.19 -41.61 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.592 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.24 -34.6 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.654 0.264 . . . . 0.0 110.935 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 55.9 mtpt -65.42 -38.0 88.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.682 177.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 51' ' ' LEU . 44.6 t -70.07 -46.01 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.232 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.87 -31.91 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.605 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 15.1 t70 -49.93 -57.23 13.12 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -174.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 46.7 Cg_endo -70.0 -14.28 35.12 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.177 1.918 . . . . 0.0 113.116 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mt -77.11 -34.96 22.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.213 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -61.25 -28.52 69.23 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.122 0.487 . . . . 0.0 110.668 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.45 -39.11 91.64 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.018 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -101.7 -54.48 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.157 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -139.51 84.99 15.46 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.008 -171.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.37 -39.46 66.64 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.892 2.395 . . . . 0.0 113.225 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.65 -38.68 84.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.187 0.518 . . . . 0.0 110.057 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -67.76 -35.82 79.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.336 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.98 99.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.577 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 m -65.22 -42.4 93.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.617 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.47 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 95.9 mtt180 -65.39 -45.46 83.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.118 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.32 -34.85 78.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.365 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.686 ' NH2' ' HA ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -56.45 -49.31 74.97 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.523 -179.238 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.09 91.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.517 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.592 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 98.1 mtt180 -61.56 -46.54 89.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.2 mt -59.41 -40.85 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.612 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.67 -47.44 86.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.396 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.3 m -62.08 -41.87 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.198 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.31 -47.75 71.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.328 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.49 HD13 ' HG2' ' A' ' 92' ' ' PRO . 70.1 mt -64.24 -39.74 94.57 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.4 -46.29 90.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.243 0.544 . . . . 0.0 109.616 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -58.87 -51.12 71.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.749 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.27 73.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.769 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 26.9 m -67.59 -38.74 84.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.899 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.8 t -77.96 -33.62 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -71.46 -25.21 62.2 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.593 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.14 24.01 8.75 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.957 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -94.11 -12.06 29.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.134 0.492 . . . . 0.0 110.181 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.556 ' HD2' HG22 ' A' ' 44' ' ' VAL . 8.5 ptm180 -164.18 152.77 13.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.691 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -121.28 171.8 8.47 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.75 -146.88 16.5 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.614 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -105.03 -172.16 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.432 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 56.7 t-20 -103.16 94.7 5.84 Favored Pre-proline 0 C--N 1.322 -0.608 0 C-N-CA 123.067 0.547 . . . . 0.0 109.989 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.49 ' HG2' HD13 ' A' ' 78' ' ' LEU . 13.9 Cg_endo -54.08 -11.51 2.75 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.043 2.495 . . . . 0.0 113.543 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.686 ' HA ' ' NH2' ' A' ' 71' ' ' ARG . . . -86.83 -10.98 52.2 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.222 0.534 . . . . 0.0 110.909 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -81.16 133.51 35.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.52 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.527 ' C ' ' H ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -129.46 -41.39 1.37 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.864 -175.146 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 58.54 -29.95 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.215 1.006 . . . . 0.0 113.608 -170.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 95' ' ' TRP . . . -142.09 87.76 0.18 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.529 ' H ' ' HD1' ' A' ' 98' ' ' TYR . 3.1 p90 -78.16 -173.38 3.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.318 0.118 . . . . 0.0 111.318 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 N--CA 1.471 0.612 0 C-N-CA 123.605 0.762 . . . . 0.0 112.803 -172.437 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttm . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.823 0.344 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.8 p -89.19 169.59 11.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.061 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.415 ' HA ' HG23 ' A' ' 44' ' ' VAL . 81.8 t80 -62.77 -40.24 96.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.789 0.328 . . . . 0.0 110.684 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m -61.92 -45.18 94.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 54.0 mt-10 -62.94 -47.25 84.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.871 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 44.4 t -61.93 -49.02 77.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.968 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.89 -45.97 74.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.864 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.3 85.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.059 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 83.0 mt -64.54 -45.47 87.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.732 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -58.83 -45.02 90.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.176 0.512 . . . . 0.0 110.091 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.474 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 94.8 mt -59.86 -49.26 84.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.963 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 58.3 mtpt -64.2 -34.93 79.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.791 0.329 . . . . 0.0 111.359 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -18.06 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.798 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -127.19 16.53 7.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.586 0.231 . . . . 0.0 111.201 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.495 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 17.3 mmt180 -56.16 -45.9 79.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.389 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 m -76.03 -20.05 58.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.141 0.496 . . . . 0.0 111.51 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.1 m -76.89 -40.71 46.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.057 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.474 ' CH2' ' HA ' ' A' ' 11' ' ' ILE . 11.6 m0 . . . . . 0 C--O 1.238 0.487 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.529 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt . . . . . 0 CA--C 1.528 0.12 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -62.4 -43.4 98.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.732 0.301 . . . . 0.0 110.464 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.79 88.7 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.278 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.63 -47.4 81.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.5 -36.63 78.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.048 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -64.4 -48.59 74.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.032 0.444 . . . . 0.0 110.78 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 m -69.24 -48.49 61.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.403 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -55.85 -49.29 73.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.714 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -60.98 -48.29 82.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.785 0.326 . . . . 0.0 111.274 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.15 -42.67 85.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.667 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -58.63 -39.34 80.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.205 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.5 m -82.28 -53.67 5.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.413 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -80.31 -49.58 11.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -173.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.9 m -79.66 -20.42 46.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.082 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.84 -65.22 3.34 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.74 -0.664 . . . . 0.0 114.044 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.85 -15.43 50.29 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.562 2.175 . . . . 0.0 113.325 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 39' ' ' ILE . 22.9 t -95.2 -65.79 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.717 0.294 . . . . 0.0 111.379 -176.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.513 HG23 HG12 ' A' ' 38' ' ' VAL . 28.8 pt -123.77 5.13 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.691 -174.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.09 -63.84 4.8 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 116.187 -0.461 . . . . 0.0 114.01 -176.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.78 5.45 6.16 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.618 2.212 . . . . 0.0 113.214 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 39' ' ' ILE . 82.6 mt -84.59 158.47 20.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 44.1 t -55.82 135.3 51.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.065 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.869 HG22 HH21 ' A' ' 87' ' ' ARG . 3.2 p -73.5 -6.66 8.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.319 0.581 . . . . 0.0 109.913 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.674 ' HG3' ' HB2' ' A' ' 87' ' ' ARG . 9.9 tt0 -93.39 -26.17 17.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.149 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 22.9 m-20 -95.44 23.68 5.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.796 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.98 106.37 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 52' ' ' ILE . 46.8 m-20 -93.76 168.82 10.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.385 -177.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' HG3' ' A' ' 53' ' ' MET . 3.7 p -60.37 -45.19 94.42 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.025 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -55.94 -43.55 77.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.81 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.53 -42.47 95.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.187 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.529 ' HB ' ' HH2' ' A' ' 95' ' ' TRP . 62.2 mt -65.3 -37.35 79.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.51 ' HG2' ' HE1' ' A' ' 98' ' ' TYR . 67.7 mtt -59.72 -35.89 75.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.756 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.05 -37.46 78.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.174 177.685 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.81 -44.13 99.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.003 0.43 . . . . 0.0 110.458 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' A' ' 59' ' ' ILE . 93.5 mt -76.33 -24.18 54.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.69 -177.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.613 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.8 t70 -46.58 -59.73 4.69 Favored Pre-proline 0 N--CA 1.471 0.588 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.537 -174.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 80.5 Cg_endo -74.57 -11.11 22.29 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.086 1.858 . . . . 0.0 112.933 -175.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 56' ' ' LEU . 32.3 mt -76.75 -29.74 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.765 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -68.2 -14.97 63.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.065 0.46 . . . . 0.0 110.746 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -81.1 -27.44 35.59 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.66 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -104.35 -62.67 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.695 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -139.98 87.37 12.6 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 -173.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -50.86 -46.0 32.86 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.48 2.786 . . . . 0.0 113.779 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 48.2 mt-10 -65.45 -39.41 92.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.968 0.413 . . . . 0.0 110.865 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.2 m -67.93 -32.69 73.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.569 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.59 68.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.934 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.9 p -66.04 -34.87 79.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.444 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 68.7 mtp180 -73.59 -34.45 65.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.338 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.04 -38.72 89.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -60.02 -35.97 76.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.794 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.71 -37.16 93.09 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.977 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 77' ' ' VAL . 99.4 mtt180 -64.09 -49.07 73.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.0 mt -59.93 -44.85 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.112 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.9 -48.0 79.23 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.712 0.292 . . . . 0.0 110.432 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -63.93 -42.55 97.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.233 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 73' ' ' ARG . 95.6 t -66.27 -49.11 78.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.706 HD12 ' HB2' ' A' ' 93' ' ' ALA . 21.5 mt -67.94 -40.14 83.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.228 -177.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.46 -38.41 80.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.259 0.552 . . . . 0.0 110.151 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 76.5 t90 -58.44 -51.24 70.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.435 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.465 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -67.46 -33.12 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -65.76 -42.69 90.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.3 t -70.16 -36.02 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.609 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 22.9 mmm-85 -67.17 -24.95 65.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.811 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.28 39.76 7.2 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.209 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -95.2 3.33 54.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.0 110.619 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.869 HH21 HG22 ' A' ' 44' ' ' VAL . 11.8 ptp85 -162.72 -174.69 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 9.5 tp10 -69.68 164.86 22.51 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.385 0.428 . . . . 0.0 109.944 172.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.83 -178.65 6.59 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 114.112 0.405 . . . . 0.0 114.112 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.2 t0 66.78 164.53 0.2 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.16 0.984 . . . . 0.0 112.005 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.474 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 44.3 t30 -134.91 90.91 20.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.655 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 11.6 Cg_endo -54.74 -18.22 15.39 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.361 2.707 . . . . 0.0 113.625 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.706 ' HB2' HD12 ' A' ' 78' ' ' LEU . . . -71.41 -18.8 62.32 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.041 0.448 . . . . 0.0 110.842 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -91.53 130.77 37.3 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.428 0.632 . . . . 0.0 109.824 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.529 ' HH2' ' HB ' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -125.27 -42.1 2.01 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.807 -175.411 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 58.63 -60.61 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.979 0.8 . . . . 0.0 111.239 -165.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.77 51.98 1.05 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.494 -0.384 . . . . 0.0 112.305 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.51 ' HE1' ' HG2' ' A' ' 53' ' ' MET . 59.8 t80 -72.03 -54.8 8.78 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.16 175.376 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 tpp . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.748 0.308 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.4 p -93.66 169.24 10.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -67.14 -40.24 86.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -58.34 -47.54 83.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.393 . . . . 0.0 110.996 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.1 mt-10 -63.4 -49.25 74.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.961 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 9.7 t -64.09 -45.15 89.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.887 -175.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.02 92.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.538 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.21 95.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.763 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 95.1 mt -60.82 -43.46 98.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.82 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -59.5 -49.46 77.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.995 0.426 . . . . 0.0 110.761 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.7 mt -66.36 -48.4 81.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.436 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.0 mtpt -66.87 -33.84 76.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.548 -176.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.26 4.18 15.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 0.0 111.26 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -132.09 4.02 4.07 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.405 -0.185 . . . . 0.0 111.182 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 23.1 ptt180 -67.76 -27.57 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.474 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -70.98 -25.9 62.91 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.27 0.557 . . . . 0.0 110.387 176.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 m -84.27 -16.19 44.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.5 m0 . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.745 -179.049 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -54.31 -46.99 72.93 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.41 91.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.346 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.52 -44.11 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.54 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.86 -41.12 90.79 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.446 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -55.36 -48.72 73.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.006 0.432 . . . . 0.0 110.139 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -62.3 -50.83 70.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.113 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.44 -47.92 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.38 -173.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m -65.62 -50.22 65.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.787 0.327 . . . . 0.0 111.338 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.24 -42.86 88.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.116 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 12.5 tmtt? -58.96 -34.05 71.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.242 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.6 m -81.05 -52.39 7.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.879 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -78.8 -49.23 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -173.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.4 m -104.45 -10.33 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.703 -172.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.36 -65.53 3.34 Favored Glycine 0 CA--C 1.521 0.422 0 O-C-N 123.513 0.508 . . . . 0.0 113.597 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.31 -14.27 43.01 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.64 2.227 . . . . 0.0 113.001 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.622 HG11 HG22 ' A' ' 55' ' ' VAL . 33.0 t -91.8 -67.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.653 0.263 . . . . 0.0 111.268 -175.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.432 HG23 HG12 ' A' ' 38' ' ' VAL . 31.6 pt -114.45 3.12 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -173.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.55 -64.2 4.53 Favored Glycine 0 CA--C 1.524 0.602 0 CA-C-N 116.272 -0.422 . . . . 0.0 113.532 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.29 2.14 4.11 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.073 2.515 . . . . 0.0 113.243 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 39' ' ' ILE . 87.7 mt -86.17 161.16 18.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.8 m -66.94 131.99 47.02 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.516 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.647 HG22 ' HD2' ' A' ' 87' ' ' ARG . 14.4 p -64.73 -24.68 36.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.33 0.585 . . . . 0.0 111.092 -176.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.488 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 4.5 pt20 -78.19 -19.47 53.84 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.82 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.86 -5.71 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.157 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.32 111.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.056 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -126.79 168.66 14.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.174 -176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -34.17 64.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.868 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -58.37 -45.88 87.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.248 0.547 . . . . 0.0 110.927 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 55' ' ' VAL . 91.8 mt -71.46 -38.93 71.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.223 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.556 HG23 HH11 ' A' ' 71' ' ' ARG . 83.9 mt -63.75 -41.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.631 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.9 mtt -63.61 -43.94 95.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.804 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -38.3 83.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.813 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.622 HG22 HG11 ' A' ' 38' ' ' VAL . 57.8 t -67.44 -44.58 86.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.919 0.39 . . . . 0.0 110.881 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.864 HD11 ' HD2' ' A' ' 71' ' ' ARG . 72.2 mt -79.32 -23.84 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.489 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.618 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.8 t70 -42.09 -57.61 4.13 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -173.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 89.3 Cg_endo -76.18 -13.27 19.08 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.937 1.758 . . . . 0.0 113.074 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.9 mt -84.75 -36.01 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.856 -0.156 . . . . 0.0 111.226 -173.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.414 ' CZ2' HD13 ' A' ' 56' ' ' LEU . 78.1 m95 -57.54 -29.65 64.55 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.816 0.341 . . . . 0.0 111.068 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.55 -59.69 4.31 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.403 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -80.64 -55.49 4.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.607 -173.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.497 ' HE2' ' OG1' ' A' ' 66' ' ' THR . 50.7 mtpt -135.02 79.73 50.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.909 0.385 . . . . 0.0 110.76 -174.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.6 -47.15 7.79 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.82 2.347 . . . . 0.0 112.906 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -64.88 -32.05 73.57 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 120.809 0.338 . . . . 0.0 111.366 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.497 ' OG1' ' HE2' ' A' ' 63' ' ' LYS . 7.9 m -70.32 -32.74 70.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.928 0.394 . . . . 0.0 110.404 177.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.718 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -62.64 -39.79 94.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.181 175.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.0 m -63.53 -39.44 94.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.459 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.61 -40.02 90.33 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.822 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.7 tp -72.71 -37.09 67.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.86 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.864 ' HD2' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -67.48 -38.99 85.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.201 -175.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.65 -34.03 84.69 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.59 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.407 ' O ' HG23 ' A' ' 77' ' ' VAL . 98.6 mtt180 -66.19 -49.53 66.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.401 . . . . 0.0 110.222 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.847 HD12 HH21 ' A' ' 71' ' ' ARG . 28.8 mt -65.19 -36.64 78.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.124 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -52.45 -47.48 66.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.06 0.457 . . . . 0.0 110.419 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -64.27 -37.54 87.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.074 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 73' ' ' ARG . 58.6 t -65.84 -48.8 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.708 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.72 -36.87 84.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.093 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.36 -47.43 70.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.569 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -58.88 -45.19 90.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.774 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.431 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -61.14 -34.43 74.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.405 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 27.3 m -64.98 -42.85 94.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.512 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.02 -40.44 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.487 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -71.92 -25.7 62.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.923 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.89 4.46 54.38 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.845 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -71.66 -26.05 62.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.108 0.48 . . . . 0.0 110.383 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.647 ' HD2' HG22 ' A' ' 44' ' ' VAL . 7.2 ptm180 -147.82 150.78 34.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.01 160.71 33.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.975 0.417 . . . . 0.0 110.698 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.11 -120.78 3.0 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -175.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -138.68 -165.21 1.78 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.39 87.64 17.16 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-O 120.632 0.253 . . . . 0.0 110.402 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.34 -6.39 16.24 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.991 2.46 . . . . 0.0 113.088 -176.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.52 2.32 55.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.453 . . . . 0.0 110.592 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -87.93 -46.57 9.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.273 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 63.75 179.93 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.765 0.793 . . . . 0.0 112.608 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -125.57 27.51 6.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.017 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.07 -53.96 0.8 Allowed Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.652 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.545 ' CD2' ' HG ' ' A' ' 99' ' ' LEU . 60.5 t80 65.02 -79.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.562 0.745 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 98' ' ' TYR . 85.6 mt . . . . . 0 C--N 1.322 -0.629 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.535 ' O ' ' HA ' ' A' ' 43' ' ' SER . 47.7 tpp . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 68.6 p -87.54 162.17 17.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.54 -37.9 88.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 m -60.83 -46.06 92.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.582 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 29.1 mt-10 -62.44 -49.07 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.163 0.506 . . . . 0.0 111.243 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.406 ' HA ' HD12 ' A' ' 9' ' ' LEU . 7.2 t -64.56 -42.24 95.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.992 -176.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.77 99.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.668 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.41 81.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 95.3 mt -60.54 -49.39 77.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.654 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -57.67 -49.89 74.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.747 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.57 -49.32 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.458 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 37.2 ttpt -63.45 -34.7 78.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.707 0.289 . . . . 0.0 111.165 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.61 -14.87 62.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.444 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -116.57 -2.01 12.06 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 32.6 ptt180 -69.98 -27.84 65.04 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.155 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -67.81 -23.52 65.19 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.874 0.368 . . . . 0.0 111.219 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 t -81.6 -14.91 56.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.054 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.3 m0 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.876 -178.24 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HB3' ' HE3' ' A' ' 22' ' ' LYS . 25.6 mtpp . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 110.713 -0.106 . . . . 0.0 110.713 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -66.6 -52.53 44.27 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.95 77.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.399 0.618 . . . . 0.0 110.072 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.32 -51.12 65.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.364 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.61 -38.46 90.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.775 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -55.04 -47.96 74.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.212 0.53 . . . . 0.0 110.1 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m -67.59 -50.49 58.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.955 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -55.26 -46.72 76.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.592 0.357 . . . . 0.0 111.503 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.1 m -63.55 -52.05 62.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.354 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.02 -41.83 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.092 0.472 . . . . 0.0 110.635 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.16 -36.11 74.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.719 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.5 m -79.84 -52.49 7.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.955 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -78.75 -45.63 20.68 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.5 m -95.41 -13.04 24.99 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.68 -172.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.41 -63.31 5.19 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-N 115.886 -0.597 . . . . 0.0 113.705 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -57.75 -26.22 72.26 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.981 2.454 . . . . 0.0 113.744 -176.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.0 t -95.41 -72.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 42' ' ' LEU . 25.4 pt -105.53 6.04 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 111.579 0.215 . . . . 0.0 111.579 -172.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -57.05 -64.91 3.97 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 116.091 -0.504 . . . . 0.0 113.596 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.05 0.28 10.01 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.489 2.126 . . . . 0.0 112.992 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 39' ' ' ILE . 79.3 mt -84.14 159.85 20.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 45.9 t -65.82 141.34 58.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.812 0.339 . . . . 0.0 110.416 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.614 HG22 ' HD2' ' A' ' 87' ' ' ARG . 10.3 p -65.18 -19.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.273 0.558 . . . . 0.0 110.118 176.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -84.48 -28.56 26.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.98 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.538 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 13.9 t70 -77.97 -22.54 49.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.037 -176.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 43' ' ' SER . 61.5 t -58.08 104.7 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 121.145 0.497 . . . . 0.0 110.748 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -106.95 166.59 10.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.699 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 53' ' ' MET . 27.2 m -58.29 -36.9 74.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.227 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -62.06 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 0.0 110.099 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 55' ' ' VAL . 91.5 mt -67.87 -38.59 83.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.16 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.501 HG23 HH11 ' A' ' 71' ' ' ARG . 59.1 mt -57.86 -40.01 74.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.086 177.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.5 mtt -63.28 -43.62 97.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -60.38 -38.15 83.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.112 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 51' ' ' LEU . 53.7 t -67.74 -41.05 84.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.362 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.831 HD11 ' HD2' ' A' ' 71' ' ' ARG . 35.6 mt -74.97 -24.38 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.577 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.0 t70 -48.94 -55.12 22.02 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -174.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 71.1 Cg_endo -75.48 -20.69 15.7 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.004 1.803 . . . . 0.0 112.836 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.557 HG22 ' HB2' ' A' ' 67' ' ' ALA . 48.1 mt -78.03 -39.5 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.286 -174.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.419 ' NE1' ' HB3' ' A' ' 56' ' ' LEU . 81.5 m95 -60.48 -28.47 68.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.042 0.448 . . . . 0.0 111.239 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.27 -26.94 47.33 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.16 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -95.03 -61.89 1.41 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.578 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -131.75 85.58 51.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.729 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.06 -49.59 12.3 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.714 2.276 . . . . 0.0 113.206 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -63.76 -39.21 93.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.242 0.544 . . . . 0.0 110.099 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.8 m -71.09 -32.91 69.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.724 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.557 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -60.15 -43.01 96.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.42 . . . . 0.0 110.348 175.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.9 t -63.99 -47.37 80.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.13 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 77.7 mtt-85 -64.15 -44.74 91.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.39 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.53 -41.88 91.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.831 ' HD2' HD11 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -67.73 -40.14 84.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.398 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.65 -39.47 97.58 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.294 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 98.0 mtt180 -64.23 -40.35 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.987 0.423 . . . . 0.0 110.186 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.744 HD12 HH21 ' A' ' 71' ' ' ARG . 36.4 mt -67.73 -37.72 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.092 177.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -54.01 -44.6 71.07 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.7 t -61.41 -44.44 97.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.2 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 73' ' ' ARG . 92.4 t -61.62 -47.07 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 178.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.472 HD13 ' HD2' ' A' ' 92' ' ' PRO . 90.8 mt -62.98 -38.96 93.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.52 -48.56 79.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.192 0.52 . . . . 0.0 110.179 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -62.88 -44.9 94.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.605 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.14 88.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.668 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -69.02 -39.32 79.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.507 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.12 -42.19 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.49 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -67.79 -26.04 65.89 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 176.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.61 19.22 38.49 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.79 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -82.88 -17.05 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.513 0.673 . . . . 0.0 109.41 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.614 ' HD2' HG22 ' A' ' 44' ' ' VAL . 8.1 ptm180 -147.86 153.02 38.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.789 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -127.9 160.79 30.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.719 0.295 . . . . 0.0 110.642 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.36 -121.55 4.72 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.804 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.635 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 7.6 t70 -141.25 -164.08 1.69 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.403 ' H ' ' CG ' ' A' ' 90' ' ' ASP . 5.0 m120 -106.37 88.06 3.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 123.002 0.521 . . . . 0.0 110.798 -177.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.635 ' HD3' ' O ' ' A' ' 90' ' ' ASP . 19.2 Cg_exo -65.81 -13.17 38.55 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.089 2.526 . . . . 0.0 113.149 -174.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.44 7.04 44.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.381 . . . . 0.0 110.923 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -100.61 -51.39 3.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.394 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.425 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 3.3 m-90 69.17 154.63 0.12 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 122.0 0.905 . . . . 0.0 112.92 176.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -105.38 -23.51 12.83 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.865 170.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -173.24 91.59 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.609 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 17.2 t80 -96.04 -70.03 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.727 0.298 . . . . 0.0 110.667 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.951 0.405 . . . . 0.0 110.648 -179.191 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 tpp . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 63.3 p -94.2 160.0 14.88 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.205 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -66.41 -41.04 89.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.686 0.279 . . . . 0.0 110.288 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -59.32 -41.77 89.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.673 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 33.8 mt-10 -69.35 -46.19 67.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.065 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 14.8 t -63.95 -47.64 79.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.97 -178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.2 85.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.469 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.84 97.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.667 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 94.9 mt -60.56 -42.34 96.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.764 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -59.99 -49.1 78.98 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.106 0.479 . . . . 0.0 110.537 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.426 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 89.9 mt -66.35 -48.2 81.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.335 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 62.0 mtpt -63.19 -34.6 77.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.475 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.41 -27.08 66.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.172 0.511 . . . . 0.0 110.837 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -100.02 2.21 43.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.486 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 10.0 mmm180 -61.34 -33.62 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.221 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 m -68.42 -32.58 72.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.826 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -80.56 -32.96 36.49 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.924 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m0 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.079 179.273 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt . . . . . 0 N--CA 1.458 -0.061 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.42 -26.23 67.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 168.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -36.0 66.14 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.129 0.49 . . . . 0.0 110.888 172.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.04 -44.17 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.118 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -58.67 -42.49 88.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.675 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -54.67 -51.45 65.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 175.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -63.14 -48.77 77.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.043 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -63.61 -44.81 92.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -175.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -62.76 -48.63 78.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.657 0.265 . . . . 0.0 111.338 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.56 -41.21 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.727 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 2.5 tmtp? -62.56 -33.52 75.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.993 0.425 . . . . 0.0 110.195 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.7 m -78.66 -52.4 8.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.806 0.336 . . . . 0.0 111.235 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -79.28 -49.39 12.54 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.5 m -96.57 -9.87 28.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.471 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -55.04 -70.34 0.99 Allowed Glycine 0 CA--C 1.52 0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 113.951 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.86 -12.74 36.6 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.724 2.283 . . . . 0.0 112.883 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 39' ' ' ILE . 38.5 t -89.55 -70.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.983 -176.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.522 HG23 HG12 ' A' ' 38' ' ' VAL . 29.4 pt -116.07 2.2 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.04 -64.25 4.53 Favored Glycine 0 CA--C 1.521 0.454 0 O-C-N 123.305 0.378 . . . . 0.0 113.459 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 5.9 Cg_exo -78.71 5.25 5.74 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.73 2.287 . . . . 0.0 112.931 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 39' ' ' ILE . 78.5 mt -87.64 154.59 20.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.7 OUTLIER -60.13 143.54 52.03 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 177.422 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.8 p -66.14 -22.17 29.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.167 0.508 . . . . 0.0 110.105 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -84.0 -19.72 34.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.071 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.75 -26.02 37.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.992 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.86 110.57 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.232 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -122.04 -175.19 3.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.586 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 m -62.26 -39.55 93.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.687 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -45.08 90.49 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.724 0.297 . . . . 0.0 110.37 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 55' ' ' VAL . 82.0 mt -63.36 -41.36 98.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.795 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.24 -40.94 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.555 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.1 mtt -60.94 -39.36 89.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.993 ' HE2' ' HA ' ' A' ' 54' ' ' LYS . 7.8 mmpt? -68.97 -37.64 78.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.333 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 51' ' ' LEU . 84.8 t -58.1 -40.99 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.956 0.408 . . . . 0.0 110.63 176.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.557 HD11 HH11 ' A' ' 71' ' ' ARG . 35.0 mt -79.47 -24.42 42.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.084 -177.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.655 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 9.4 t70 -45.16 -59.19 4.58 Favored Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -172.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 90.1 Cg_endo -75.41 -21.88 14.67 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.043 1.829 . . . . 0.0 113.068 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.22 -29.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.54 -171.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -63.12 -29.08 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.638 0.256 . . . . 0.0 111.561 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -80.6 -22.78 40.33 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.976 0.417 . . . . 0.0 111.402 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -100.14 -59.99 1.61 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.867 -178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -143.13 85.47 9.71 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.805 -174.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -61.04 -36.77 80.62 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.549 2.166 . . . . 0.0 112.172 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -64.08 -44.56 92.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.703 179.391 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 m -71.19 -32.32 68.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.764 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.25 -39.43 82.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.097 0.475 . . . . 0.0 110.332 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 m -68.32 -36.66 79.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.63 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 64.3 mtp180 -68.93 -45.5 70.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.774 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.97 -34.32 75.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.25 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.557 HH11 HD11 ' A' ' 56' ' ' LEU . 2.4 tpm_? -55.64 -48.66 74.6 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.421 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.67 74.56 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.683 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' O ' HG23 ' A' ' 77' ' ' VAL . 97.1 mtt180 -64.47 -45.27 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.611 0.243 . . . . 0.0 110.749 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.01 -38.85 82.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.66 0.267 . . . . 0.0 110.667 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -56.0 -45.54 79.0 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.9 m -60.55 -41.99 95.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.006 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 73' ' ' ARG . 61.3 t -68.87 -47.25 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.799 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.42 -38.8 92.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.423 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.76 -40.89 92.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.0 0.428 . . . . 0.0 110.104 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -60.4 -44.77 95.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.889 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.407 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -63.57 -30.75 71.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.938 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' HA2' ' A' ' 89' ' ' GLY . 57.9 m -69.27 -34.98 75.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.67 -41.87 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.132 0.491 . . . . 0.0 110.255 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -69.86 -23.48 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.369 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.61 31.43 13.17 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.831 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -88.58 -24.73 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.481 . . . . 0.0 110.216 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -140.96 174.22 10.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.309 172.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -72.42 172.78 9.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.741 0.305 . . . . 0.0 111.38 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.671 ' HA2' HG23 ' A' ' 82' ' ' THR . . . -73.84 22.17 1.2 Allowed Glycine 0 C--N 1.332 0.353 0 CA-C-N 115.822 -0.626 . . . . 0.0 113.844 -175.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -111.14 124.47 52.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.803 0.335 . . . . 0.0 110.218 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 57.1 t-20 -116.13 88.97 23.96 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.117 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.52 -8.75 15.83 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.049 2.499 . . . . 0.0 113.424 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.53 -10.23 56.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 91' ' ' ASN . 5.4 ppt_? -82.5 -29.55 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.149 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.526 ' NE1' ' HB3' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 66.31 153.73 0.08 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.911 0.757 . . . . 0.0 113.0 173.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -85.27 -32.14 22.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.764 171.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 145.6 64.88 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.707 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.526 ' HB3' ' NE1' ' A' ' 95' ' ' TRP . 13.6 t80 -125.46 148.16 48.94 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 123.853 0.861 . . . . 0.0 112.016 -174.454 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 tpp . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.5 p -96.48 163.34 13.08 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.056 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.59 -41.44 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.713 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.5 m -62.86 -43.42 98.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.032 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -64.66 -47.71 77.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.965 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.9 t -61.88 -46.16 90.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.537 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.83 84.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.881 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.95 93.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.82 -46.32 91.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.358 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -58.02 -48.43 80.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.449 HG23 ' HZ3' ' A' ' 18' ' ' TRP . 98.5 mt -62.0 -49.91 82.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.26 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -70.43 -34.07 72.05 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.39 0.9 27.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -135.59 10.4 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.2 -0.313 . . . . 0.0 110.948 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -69.85 -16.65 63.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.919 -176.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -34.78 72.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.662 176.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 t -76.58 -18.99 58.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.14 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.449 ' HZ3' HG23 ' A' ' 11' ' ' ILE . 12.2 m0 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.29 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 19.6 mmmt . . . . . 0 C--O 1.227 -0.08 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -59.41 -44.23 92.89 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.339 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.14 81.26 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.232 0.539 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.5 -45.49 62.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.148 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 13.3 mm-40 -62.97 -37.48 87.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.616 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -54.6 -51.37 65.53 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.2 m -60.84 -51.22 70.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.958 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -55.95 -46.02 78.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.814 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -64.17 -54.36 34.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.47 -40.23 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.706 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.53 -35.63 74.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.697 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -81.68 -53.07 6.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.162 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -80.29 -49.54 11.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -174.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -90.43 -19.12 24.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.568 0.223 . . . . 0.0 111.462 -173.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.91 -64.69 4.02 Favored Glycine 0 CA--C 1.523 0.58 0 CA-C-N 115.821 -0.627 . . . . 0.0 114.366 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -63.98 -19.86 67.1 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.538 2.159 . . . . 0.0 113.564 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.9 t -95.33 -72.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.519 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.7 pt -105.76 1.16 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.273 -173.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.86 -63.17 5.49 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.52 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -76.03 5.35 4.55 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.792 2.328 . . . . 0.0 113.254 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 39' ' ' ILE . 86.6 mt -89.05 153.58 20.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.55 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 15.7 m -62.3 141.75 58.11 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.128 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.82 -26.29 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 111.291 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -80.78 -21.45 40.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.009 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 0.7 OUTLIER -86.91 4.3 42.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.626 -177.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.5 105.01 4.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -101.05 170.23 8.41 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.543 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 53' ' ' MET . 0.0 OUTLIER -65.94 -35.5 80.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.8 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 9.1 tmtt? -61.24 -42.09 98.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.927 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.27 -38.44 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.832 HD13 HH12 ' A' ' 71' ' ' ARG . 91.5 mt -62.05 -38.66 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.784 177.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.7 mtt -60.42 -39.07 86.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.595 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -60.54 -37.73 82.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.5 t -72.9 -45.44 55.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.254 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.28 -35.59 63.76 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -172.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.58 ' HA ' ' HD1' ' A' ' 60' ' ' TRP . 18.8 t70 -48.4 -56.62 13.59 Favored Pre-proline 0 N--CA 1.473 0.723 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -173.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 28.3 Cg_endo -65.79 -21.2 58.4 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.238 1.959 . . . . 0.0 113.007 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.0 mt -79.24 -28.11 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.312 . . . . 0.0 110.696 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.58 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 87.4 m95 -59.74 -30.39 68.8 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.147 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.27 -20.11 60.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.961 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -110.29 -56.26 2.36 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.498 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -138.72 85.49 16.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.863 -174.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.69 -46.05 22.27 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.759 2.306 . . . . 0.0 112.546 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 57.4 mm-40 -61.91 -42.85 99.57 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 121.128 0.49 . . . . 0.0 110.703 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -71.15 -33.66 70.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.839 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.37 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 0.0 110.249 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -68.24 -37.75 81.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.798 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 70.1 mtp180 -74.24 -39.77 62.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.569 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.417 HD12 ' HD2' ' A' ' 73' ' ' ARG . 67.0 tp -64.16 -34.23 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.396 0.617 . . . . 0.0 109.841 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.832 HH12 HD13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -54.84 -38.92 68.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.976 175.291 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.69 -30.42 77.89 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.598 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' HD2' HD12 ' A' ' 70' ' ' LEU . 91.1 mtt180 -67.76 -34.51 76.96 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.65 -42.95 96.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.852 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -56.68 -44.65 81.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.414 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.1 m -58.95 -42.19 89.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.881 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.9 t -72.22 -48.67 47.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.452 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.496 ' HB2' HD21 ' A' ' 91' ' ' ASN . 60.8 mt -63.78 -44.65 92.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.01 -37.72 83.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.233 0.539 . . . . 0.0 110.206 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -65.43 -39.53 92.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.852 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -64.28 -34.05 77.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.096 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 88' ' ' GLU . 81.8 m -60.24 -44.83 94.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.401 175.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.25 -38.42 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -66.68 -23.27 66.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.369 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.66 22.82 17.44 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.458 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.411 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 21.9 m-85 -87.73 -21.8 24.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.353 0.597 . . . . 0.0 109.765 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 82' ' ' THR . 7.3 ptp180 -161.92 175.19 12.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.247 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.764 ' HA ' HG23 ' A' ' 82' ' ' THR . 12.1 pt-20 -164.81 -178.21 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.82 94.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 O-C-N 123.505 0.503 . . . . 0.0 112.951 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' H ' ' A' ' 91' ' ' ASN . 30.4 t70 56.52 -164.6 0.15 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 122.916 0.486 . . . . 0.0 110.104 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.716 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 56.3 t30 -158.61 140.48 9.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 121.804 -0.56 . . . . 0.0 109.567 177.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.716 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 39.7 Cg_endo -69.23 5.68 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.806 2.337 . . . . 0.0 112.944 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.687 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -89.89 -0.36 57.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.975 0.417 . . . . 0.0 110.567 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -83.53 149.16 26.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.179 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.44 106.12 5.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.876 175.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 96' ' ' ARG . 10.3 mtt180 -76.91 -21.51 54.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.064 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.5 -113.96 2.29 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -141.4 -48.07 0.39 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.699 0.285 . . . . 0.0 110.325 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.5 mt . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.056 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.4 ttm . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.117 0.484 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 40.9 p -82.94 176.29 9.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.606 172.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -63.75 -38.76 92.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -59.27 -45.95 89.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.763 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.5 mt-10 -62.56 -45.61 92.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.7 t -65.34 -47.73 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.672 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.3 83.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.034 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.84 99.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 88.5 mt -61.42 -42.15 98.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -56.9 -47.57 80.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.657 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.404 HG23 ' HZ3' ' A' ' 18' ' ' TRP . 90.5 mt -71.68 -50.68 37.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.523 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.6 mttt -71.86 -35.57 69.87 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -173.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.11 -10.24 59.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.883 0.373 . . . . 0.0 111.236 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.575 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 48.4 m80 -115.13 -3.19 12.59 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.463 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 11.3 ptm180 -58.74 -18.33 30.68 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -171.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -64.42 -53.8 42.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.007 0.432 . . . . 0.0 110.753 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -75.08 -23.09 57.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.222 1.01 . . . . 0.0 108.579 174.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.575 ' HB2' ' O ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.218 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 34.5 mtpt . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 1.3 p80 -67.54 -29.93 69.45 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.948 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.29 -38.11 78.17 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.216 0.532 . . . . 0.0 109.969 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.69 -46.23 90.59 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.133 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 16.3 mm-40 -58.43 -30.16 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.818 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.431 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 17.9 m95 -74.51 -51.15 15.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 m -66.33 -46.94 75.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.26 -176.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -66.52 -47.93 71.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.124 -171.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 p -62.34 -53.0 61.36 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.645 0.26 . . . . 0.0 111.474 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.71 -44.97 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -59.43 -34.81 72.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.017 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.8 m -81.69 -51.39 8.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.737 -175.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -77.85 -49.3 14.54 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.4 m -103.51 -19.26 14.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.54 -64.19 3.31 Favored Glycine 0 CA--C 1.519 0.326 0 O-C-N 123.81 0.694 . . . . 0.0 113.983 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.5 -24.07 51.15 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.718 2.278 . . . . 0.0 113.549 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.494 HG11 HG22 ' A' ' 55' ' ' VAL . 19.1 t -95.28 -73.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.1 pt -95.06 -3.03 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -173.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.492 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -55.5 -63.09 5.6 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.159 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.39 2.72 4.17 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.55 2.167 . . . . 0.0 113.169 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.612 HD13 HD13 ' A' ' 51' ' ' LEU . 78.6 mt -84.55 152.28 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 47' ' ' VAL . 39.2 t -68.69 147.5 51.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.54 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.51 -22.93 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 109.977 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -82.11 -24.68 35.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.436 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -86.76 -27.19 23.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.561 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 43' ' ' SER . 87.5 t -55.22 115.41 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.298 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -127.14 167.71 15.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.89 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 53' ' ' MET . 24.0 m -59.42 -36.43 75.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.515 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -61.83 -42.54 99.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 111.142 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.612 HD13 HD13 ' A' ' 42' ' ' LEU . 61.0 mt -66.9 -38.18 85.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.657 0.741 . . . . 0.0 109.732 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.601 HG23 ' NE ' ' A' ' 71' ' ' ARG . 18.9 mt -62.26 -35.32 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.54 178.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.8 mtt -66.65 -41.54 88.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.879 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -56.59 -38.88 72.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.424 -178.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.546 ' HB ' HH22 ' A' ' 71' ' ' ARG . 21.4 t -70.38 -38.93 75.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD22 ' HB1' ' A' ' 67' ' ' ALA . 51.1 mt -78.89 -23.11 45.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.946 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.598 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 9.0 t70 -45.54 -55.65 11.66 Favored Pre-proline 0 N--CA 1.47 0.562 0 O-C-N 123.55 0.531 . . . . 0.0 112.337 -176.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 72.8 Cg_endo -76.76 -13.51 17.83 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 121.946 1.764 . . . . 0.0 112.876 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.524 HD12 HD23 ' A' ' 56' ' ' LEU . 51.7 mt -82.78 -39.8 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 122.391 -0.193 . . . . 0.0 111.156 -177.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -57.92 -27.86 63.74 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.009 0.433 . . . . 0.0 111.114 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -69.26 -28.28 66.17 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.431 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -111.78 -52.99 2.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.274 -172.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -130.78 83.87 60.25 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.44 -53.19 4.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.059 2.506 . . . . 0.0 112.966 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.65 -40.18 91.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 110.742 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.2 m -67.85 -35.41 78.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.222 -175.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.588 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -58.05 -46.94 84.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.919 0.39 . . . . 0.0 110.926 178.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.6 t -71.26 -45.15 63.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.908 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -64.11 -32.8 74.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.831 0.348 . . . . 0.0 111.379 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 tp -67.56 -37.27 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.172 0.51 . . . . 0.0 110.179 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.601 ' NE ' HG23 ' A' ' 52' ' ' ILE . 19.6 mmt180 -67.65 -35.94 79.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.021 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.58 -30.67 72.59 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.272 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -71.23 -47.25 58.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.322 0.582 . . . . 0.0 109.904 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.83 -37.3 77.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.343 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.01 -48.05 64.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.501 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.67 -37.6 87.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.168 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.36 -49.08 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.566 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.39 -32.91 74.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.06 -47.67 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 109.845 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -60.59 -43.58 97.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.533 175.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.08 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.376 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.7 m -67.41 -44.61 78.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.81 -34.13 67.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 121.242 0.544 . . . . 0.0 110.429 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -72.54 -11.67 60.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.465 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.44 26.34 57.26 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.64 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -83.45 -32.64 25.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.185 0.517 . . . . 0.0 109.705 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -147.22 154.06 40.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.021 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -120.56 173.47 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 110.455 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.81 -162.31 24.11 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.234 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.531 ' OD1' ' HD3' ' A' ' 94' ' ' ARG . 5.7 t70 -87.79 170.93 10.78 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.468 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 45.8 t-20 -89.54 137.78 28.66 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 86.6 Cg_endo -86.24 -10.0 6.93 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.254 1.969 . . . . 0.0 113.678 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.04 3.0 56.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.531 ' HD3' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -102.53 150.36 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.966 0.412 . . . . 0.0 110.889 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.86 120.08 29.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.144 0.497 . . . . 0.0 112.088 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -104.33 103.33 13.05 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.15 -56.98 0.56 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -173.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.7 t80 61.68 -165.91 0.22 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.517 0.327 . . . . 0.0 110.269 173.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.115 0.483 . . . . 0.0 109.839 175.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.8 tpp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.621 0.248 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 74.6 p -97.0 164.26 12.6 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -63.33 -36.43 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -61.83 -47.06 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.632 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.582 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 45.7 mt-10 -63.33 -48.04 79.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 16.3 t -61.2 -44.96 96.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.935 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.17 89.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.931 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.21 82.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.987 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 86.5 mt -64.22 -43.11 95.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.475 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -56.9 -43.53 81.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.196 0.522 . . . . 0.0 110.222 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.471 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 90.5 mt -65.59 -50.05 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.08 178.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HA ' ' HB3' ' A' ' 15' ' ' ARG . 93.2 mttt -67.21 -33.36 75.21 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.47 -14.31 56.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.775 0.322 . . . . 0.0 111.52 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 76.3 m80 -122.12 2.22 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.983 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.594 ' HA ' ' HB2' ' A' ' 18' ' ' TRP . 2.9 ptm180 -58.77 -21.67 56.3 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -166.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -77.0 -42.75 37.45 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.768 -0.582 . . . . 0.0 110.957 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -73.88 -14.93 61.15 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.594 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 1.6 m0 . . . . . 0 N--CA 1.44 -0.94 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.824 -174.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -60.46 -46.05 91.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.711 0.291 . . . . 0.0 110.775 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.19 86.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.55 -42.15 83.1 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.224 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.05 -38.85 77.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.909 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.61 ' HA ' HH11 ' A' ' 73' ' ' ARG . 9.0 m95 -67.0 -51.21 57.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 175.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 m -65.86 -51.12 61.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.901 -174.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.82 -49.98 75.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.858 -169.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.3 m -61.9 -48.04 82.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.772 0.32 . . . . 0.0 111.308 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.9 mt -67.27 -42.3 87.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.673 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 75.6 tttt -62.68 -35.12 78.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.079 0.466 . . . . 0.0 110.899 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.7 m -81.74 -51.56 8.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.861 -174.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -79.68 -49.15 12.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.6 m -88.77 -28.66 20.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.675 -0.238 . . . . 0.0 111.399 -174.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.565 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -50.04 -64.34 3.61 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 115.976 -0.557 . . . . 0.0 114.084 -176.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.9 -26.58 49.32 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.831 2.354 . . . . 0.0 113.526 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.432 HG11 HG22 ' A' ' 55' ' ' VAL . 24.2 t -92.99 -73.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.49 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.4 pt -101.59 0.76 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -173.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -56.43 -63.92 4.87 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-O 119.75 -0.472 . . . . 0.0 113.244 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 3.1 Cg_exo -76.42 -0.92 10.92 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.992 2.461 . . . . 0.0 112.515 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 39' ' ' ILE . 77.9 mt -81.47 159.06 24.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 t -67.16 147.52 52.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.797 0.332 . . . . 0.0 110.389 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.426 HG13 ' HB3' ' A' ' 87' ' ' ARG . 15.0 p -64.69 -17.79 22.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' CD ' ' HA ' ' A' ' 87' ' ' ARG . 22.6 mm-40 -74.01 -34.64 64.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.49 174.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -84.67 -5.99 59.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.94 109.88 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -129.13 165.26 21.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.445 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 m -58.62 -40.52 83.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.725 -175.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -58.56 -45.26 89.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.015 0.436 . . . . 0.0 109.921 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.0 mt -66.37 -43.61 85.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.829 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.27 -41.06 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 64.3 mtt -63.13 -36.48 83.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.799 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -68.95 -37.73 79.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.92 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 51' ' ' LEU . 51.0 t -68.15 -48.41 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 59' ' ' ILE . 95.9 mt -73.44 -24.94 60.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.291 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.566 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 4.3 t70 -49.12 -55.18 22.4 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 59.5 Cg_endo -74.36 -17.1 21.59 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.947 1.765 . . . . 0.0 112.589 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' LEU . 63.2 mt -75.19 -37.0 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.988 -177.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -58.8 -29.4 66.81 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.001 0.429 . . . . 0.0 111.494 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -73.33 -28.86 62.31 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.667 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -105.88 -49.55 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -135.69 79.07 47.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.152 -173.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.28 -40.96 17.42 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.494 2.129 . . . . 0.0 112.182 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -63.79 -40.71 97.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.134 0.492 . . . . 0.0 110.643 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.7 m -71.7 -32.55 67.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.795 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.8 93.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.725 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -71.17 -34.56 71.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -68.2 -32.84 73.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.27 0.557 . . . . 0.0 110.572 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 74' ' ' ILE . 51.4 tp -70.12 -43.1 71.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.219 177.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -61.13 -41.23 96.33 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.505 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.75 -38.43 95.18 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.133 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.61 HH11 ' HA ' ' A' ' 27' ' ' TRP . 75.9 mtm180 -70.86 -42.69 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.991 -0.123 . . . . 0.0 110.852 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 70' ' ' LEU . 75.5 mt -61.17 -46.9 95.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.576 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -55.07 -47.68 74.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.772 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.8 m -60.39 -44.04 96.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.179 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -67.12 -46.84 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.82 -43.58 98.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.543 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.99 -41.29 86.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.399 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -59.67 -44.06 93.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.165 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -64.32 -30.85 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.891 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.616 HG23 ' HA2' ' A' ' 89' ' ' GLY . 36.0 m -64.45 -44.75 90.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.354 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.1 -45.07 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.05 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.81 -19.39 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.104 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.01 31.76 16.51 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.711 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 38.1 m-85 -91.64 -28.73 17.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.474 ' HA ' ' CD ' ' A' ' 45' ' ' GLN . 4.9 ptm85 -135.97 171.71 14.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.44 173.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.37 175.46 6.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.799 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.616 ' HA2' HG23 ' A' ' 82' ' ' THR . . . -77.72 27.73 1.89 Allowed Glycine 0 CA--C 1.517 0.168 0 N-CA-C 115.488 0.955 . . . . 0.0 115.488 -166.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -118.88 143.76 46.79 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 117.398 0.599 . . . . 0.0 111.305 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -123.58 87.88 52.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.685 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.22 5.31 3.2 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.002 2.468 . . . . 0.0 113.345 -176.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.13 -22.55 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.012 0.434 . . . . 0.0 110.813 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -87.41 128.63 35.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.541 0.686 . . . . 0.0 110.458 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.584 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -115.14 122.69 46.85 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.24 -176.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -72.45 -25.25 61.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.86 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.17 88.96 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.662 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.584 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 52.2 t80 -106.77 -46.42 3.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 171.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.888 177.703 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -91.51 165.28 13.44 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.113 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -62.63 -43.21 99.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.872 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.6 m -64.82 -43.3 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.141 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.1 mt-10 -67.42 -43.08 82.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.132 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.43 ' HA ' HD12 ' A' ' 9' ' ' LEU . 13.6 t -62.03 -43.63 98.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.393 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.93 89.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.361 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.94 86.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.949 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.2 mt -60.42 -45.78 92.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.385 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.61 -49.37 77.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.937 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.61 -47.13 94.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.128 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.696 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 95.5 mttt -63.67 -33.08 74.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.82 -14.54 63.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.625 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -122.64 9.27 9.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.696 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 20.4 ptt180 -68.05 -26.38 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 110.59 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -72.02 -26.56 62.26 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.324 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -32.24 24.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.356 0.598 . . . . 0.0 110.097 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.2 m0 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.733 -176.165 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HB3' ' HE3' ' A' ' 22' ' ' LYS . 12.2 mtpp . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.53 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 2.4 p-80 -61.95 -27.83 69.12 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' TRP . . . -56.71 -42.73 79.68 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.218 0.533 . . . . 0.0 110.826 174.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.2 -42.81 88.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.083 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -60.6 -33.61 72.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.425 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.53 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 7.9 m95 -54.59 -51.4 65.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.676 0.275 . . . . 0.0 110.266 174.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 m -69.46 -43.24 73.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.278 0.561 . . . . 0.0 110.537 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -58.45 -48.96 79.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.517 -174.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m -67.22 -45.87 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.319 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.9 mt -62.74 -41.92 94.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.775 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.36 -31.34 71.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.943 0.401 . . . . 0.0 110.809 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 m -77.6 -53.15 7.93 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -80.34 -50.15 10.55 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.6 m -93.04 -26.21 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.389 -172.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.01 -65.02 2.43 Favored Glycine 0 CA--C 1.523 0.543 0 O-C-N 123.755 0.659 . . . . 0.0 114.566 -175.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.95 -9.34 24.58 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.693 2.262 . . . . 0.0 113.372 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.45 HG12 HG23 ' A' ' 39' ' ' ILE . 27.3 t -106.23 -73.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.646 0.26 . . . . 0.0 111.431 -176.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 42' ' ' LEU . 36.9 pt -108.88 6.36 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.566 -173.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.91 -64.41 4.32 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 116.124 -0.489 . . . . 0.0 113.546 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -75.3 5.06 4.36 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.77 2.314 . . . . 0.0 113.276 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.4 mt -80.33 146.14 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.3 m -59.84 138.76 57.71 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 120.762 0.315 . . . . 0.0 110.644 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.669 HG22 HH21 ' A' ' 87' ' ' ARG . 6.0 p -70.31 -12.43 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 121.271 0.557 . . . . 0.0 111.04 -174.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -87.32 -26.83 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.494 0.664 . . . . 0.0 109.601 173.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.71 -15.42 32.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.673 -174.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -57.92 107.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.401 ' H ' HD12 ' A' ' 51' ' ' LEU . 21.5 t70 -108.92 163.95 12.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.738 -175.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.3 m -65.15 -33.82 76.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.155 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 8.1 tmtt? -66.78 -38.54 86.75 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 48' ' ' ASP . 79.3 mt -66.81 -38.28 86.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.311 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.5 mt -67.08 -38.75 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.229 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.448 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 13.2 mmt -57.33 -36.68 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 50.6 mtpt -59.87 -42.08 92.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.383 . . . . 0.0 110.742 177.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.3 t -74.04 -47.09 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.097 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.4 mt -78.97 -31.09 44.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -171.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.609 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 24.9 t0 -47.13 -56.22 12.93 Favored Pre-proline 0 N--CA 1.476 0.828 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -174.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 36.8 Cg_endo -68.67 -33.43 21.58 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.585 1.523 . . . . 0.0 112.138 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.582 HG22 ' HB2' ' A' ' 67' ' ' ALA . 32.9 mm -68.8 -31.07 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.088 -176.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -54.81 -37.41 66.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.964 0.411 . . . . 0.0 110.89 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.23 -42.68 13.59 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.346 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -66.7 -59.25 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 111.364 -177.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -138.65 82.63 21.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.942 -173.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.11 -46.37 31.44 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.22 2.613 . . . . 0.0 113.291 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.19 -33.6 73.61 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.09 0.471 . . . . 0.0 110.743 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 m -71.86 -36.84 70.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.8 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.582 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -61.08 -45.18 95.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.025 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 p -70.88 -39.48 72.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.302 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.72 -37.62 85.05 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.036 0.446 . . . . 0.0 111.11 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 54.4 tp -67.87 -41.99 81.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.706 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.495 ' NH1' ' HB2' ' A' ' 95' ' ' TRP . 5.1 ttp180 -62.93 -36.74 84.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.284 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.02 99.92 Favored Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.887 -178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 20.0 ptp180 -71.83 -34.3 69.18 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.469 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.21 -39.84 83.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.88 -48.42 70.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.722 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.8 t -66.33 -42.66 87.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.899 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 73' ' ' ARG . 91.3 t -65.04 -46.42 91.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.944 0.402 . . . . 0.0 110.678 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 92' ' ' PRO . 74.4 mt -61.62 -46.94 87.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.36 -40.13 89.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.912 0.387 . . . . 0.0 110.966 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.21 -45.57 94.03 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.681 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.98 -31.66 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.6 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.2 m -64.3 -48.69 74.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.777 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.2 -36.28 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.694 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -66.51 -15.39 63.35 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.104 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.33 33.96 11.14 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.142 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -90.82 -4.76 56.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.023 0.44 . . . . 0.0 110.614 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.669 HH21 HG22 ' A' ' 44' ' ' VAL . 10.2 ptp85 -166.03 171.34 12.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.126 174.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -116.93 164.36 14.8 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.37 -138.26 15.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.581 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -117.84 178.59 4.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -83.09 144.13 46.8 Favored Pre-proline 0 N--CA 1.445 -0.721 0 CA-C-O 120.861 0.362 . . . . 0.0 110.388 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.493 ' HD2' HD13 ' A' ' 78' ' ' LEU . 60.2 Cg_endo -73.65 0.26 8.41 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.78 2.32 . . . . 0.0 113.235 -177.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.4 18.03 21.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.0 115.22 10.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.36 0.6 . . . . 0.0 111.873 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.495 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -143.78 104.0 4.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.859 178.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -75.36 -17.3 60.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.006 0.431 . . . . 0.0 110.571 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.81 68.72 0.27 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.141 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -70.58 -65.28 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.473 0.177 . . . . 0.0 110.624 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 120.942 0.401 . . . . 0.0 110.559 175.146 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 43' ' ' SER . 42.9 tpp . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 67.5 p -95.64 162.57 13.56 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -58.96 -40.06 83.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.718 0.294 . . . . 0.0 110.634 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 m -60.97 -46.98 88.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.5 mt-10 -66.94 -43.97 81.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t -62.79 -44.76 95.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.717 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.28 -40.95 87.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.675 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.5 -33.59 76.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.879 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.0 mt -68.07 -41.78 81.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.364 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -57.13 -48.25 79.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.486 . . . . 0.0 110.287 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.84 -49.46 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.062 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.682 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.6 mttp -65.25 -34.45 78.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.509 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.78 -18.98 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.859 0.361 . . . . 0.0 111.362 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -112.39 -2.99 14.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.554 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.682 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 42.5 ptt85 -56.92 -29.13 62.8 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -171.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 m -70.35 -42.51 71.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.78 0.324 . . . . 0.0 110.979 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -74.78 -16.17 60.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.785 0.802 . . . . 0.0 108.973 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.622 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 4.0 m0 . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 114.457 -1.247 . . . . 0.0 113.428 -172.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.4 mmmt . . . . . 0 N--CA 1.464 0.228 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -60.27 -53.16 60.96 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.532 0.206 . . . . 0.0 111.331 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -34.92 75.9 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.088 0.47 . . . . 0.0 110.44 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.64 -51.31 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.871 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.8 mm-40 -60.2 -41.8 93.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.065 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -57.95 -51.13 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 111.073 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 m -68.72 -41.01 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.251 0.548 . . . . 0.0 110.283 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -64.28 -48.96 73.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.937 -172.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 p -66.93 -50.49 62.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.732 0.301 . . . . 0.0 111.705 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.79 -41.02 90.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 3.5 tmmm? -62.56 -35.47 79.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.159 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.9 m -81.78 -51.97 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.887 -175.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -78.61 -49.8 12.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 39.1 m -88.48 -24.08 23.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.535 0.207 . . . . 0.0 111.469 -173.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.517 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -50.04 -64.72 3.34 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.77 -0.65 . . . . 0.0 114.431 -175.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.93 -24.14 78.72 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.697 2.265 . . . . 0.0 113.868 -174.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -96.7 -70.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.2 pt -104.05 -0.09 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.632 0.253 . . . . 0.0 111.458 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.493 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -53.83 -63.16 5.37 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.571 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.517 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 6.9 Cg_exo -74.24 4.88 3.97 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.133 2.556 . . . . 0.0 113.243 -177.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 39' ' ' ILE . 94.8 mt -89.74 143.87 26.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 1' ' ' MET . 12.5 m -61.27 135.85 57.86 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.326 177.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 86' ' ' TYR . 11.1 p -59.92 -24.34 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.64 -175.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 63.7 tt0 -73.8 -26.11 60.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.24 0.543 . . . . 0.0 111.079 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.81 -14.26 34.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.951 0.405 . . . . 0.0 110.629 -174.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.04 114.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.484 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -120.92 167.97 11.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.806 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.4 m -55.15 -43.89 74.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.382 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 2.2 tmtp? -64.56 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.06 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.86 -38.21 90.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.8 -39.37 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.261 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.9 mtt -58.94 -37.21 76.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.794 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 59.5 mtpt -62.07 -38.02 87.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -71.92 -43.46 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.48 -24.8 50.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.656 -175.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.605 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 16.4 t70 -43.91 -57.11 6.42 Favored Pre-proline 0 N--CA 1.472 0.653 0 O-C-N 123.849 0.718 . . . . 0.0 112.699 -175.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 58.8 Cg_endo -71.99 -23.6 21.64 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 121.793 1.662 . . . . 0.0 112.526 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.7 mm -75.43 -30.7 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 -175.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.423 ' O ' ' HG3' ' A' ' 64' ' ' PRO . 70.7 m95 -61.84 -28.63 69.62 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.347 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -82.13 -35.98 27.94 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.803 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -80.91 -60.32 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.234 -177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HE3' ' OG1' ' A' ' 66' ' ' THR . 28.9 mtpp -143.4 85.24 9.62 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.172 -175.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HG3' ' O ' ' A' ' 60' ' ' TRP . 32.4 Cg_exo -56.4 -49.74 14.1 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.368 2.712 . . . . 0.0 113.23 -174.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 71.2 mm-40 -60.8 -38.73 86.34 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.143 0.497 . . . . 0.0 110.716 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.582 ' OG1' ' HE3' ' A' ' 63' ' ' LYS . 29.9 m -68.01 -32.82 73.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.843 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 71' ' ' ARG . . . -62.23 -43.02 99.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.899 0.381 . . . . 0.0 111.073 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.724 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 24.1 t -70.22 -37.51 75.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.488 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 63.1 mtt180 -70.37 -32.49 70.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.025 0.441 . . . . 0.0 111.048 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.12 -34.22 77.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.308 176.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.724 ' HE ' ' HA ' ' A' ' 68' ' ' SER . 45.7 mtm180 -55.82 -36.15 67.16 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.555 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.54 -36.2 90.82 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.642 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -68.02 -47.37 68.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.011 0.434 . . . . 0.0 109.963 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.5 mt -61.87 -44.51 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.489 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.8 -44.66 96.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.391 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.0 m -60.59 -43.14 97.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.316 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.85 -43.22 79.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.18 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.514 HD13 ' HD2' ' A' ' 92' ' ' PRO . 94.2 mt -63.86 -36.05 82.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.464 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.27 -45.21 85.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.231 0.539 . . . . 0.0 110.11 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.406 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 89.7 t90 -60.83 -44.51 96.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.349 176.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.9 -36.83 82.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.397 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.753 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 87.5 m -65.2 -42.48 93.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.977 0.417 . . . . 0.0 111.373 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.1 t -70.42 -34.21 57.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 110.563 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 84' ' ' ARG . 3.1 mpt_? -80.75 -4.07 53.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.588 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.42 3.25 78.55 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.888 172.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.45 ' HB3' HG11 ' A' ' 44' ' ' VAL . 36.8 m-85 -70.1 -21.48 63.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.448 0.642 . . . . 0.0 109.892 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.753 ' O ' ' HA ' ' A' ' 82' ' ' THR . 11.6 ptm180 -154.56 147.86 24.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 171.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -134.58 163.28 30.08 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.033 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.38 -102.15 0.99 Allowed Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.58 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.01 162.75 38.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -82.28 141.1 45.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.514 ' HD2' HD13 ' A' ' 78' ' ' LEU . 93.4 Cg_endo -92.57 5.23 3.38 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.882 2.388 . . . . 0.0 112.735 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.55 1.4 46.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.69 -175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.542 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 5.0 ppt_? -96.55 142.95 28.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.965 0.412 . . . . 0.0 110.607 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.454 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -136.46 158.99 43.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.456 -175.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.44 -52.49 4.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.354 173.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.43 52.71 0.42 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.283 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 74.6 t80 -51.91 -53.67 38.23 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.174 0.511 . . . . 0.0 110.303 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.863 176.545 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.6 p -86.09 162.81 18.24 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.033 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.24 -41.42 96.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.728 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m -60.85 -40.87 94.49 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.804 0.335 . . . . 0.0 110.94 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 51.6 mt-10 -67.46 -48.35 67.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.23 -44.02 96.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.778 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.46 93.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.568 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.65 97.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 88.9 mt -63.74 -37.45 87.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.74 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -57.68 -44.36 85.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.105 0.478 . . . . 0.0 110.161 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.0 -47.95 65.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.47 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 95.7 mttt -56.98 -46.1 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.702 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.69 -3.82 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -130.1 6.64 5.0 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.212 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 16.4 ptt180 -72.57 -15.98 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.008 0.433 . . . . 0.0 111.155 -174.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -90.31 -29.39 18.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.812 173.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 m -74.6 -17.44 60.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.847 0.832 . . . . 0.0 109.038 173.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 52.0 m0 . . . . . 0 N--CA 1.439 -0.98 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.38 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.8 pttt . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.21 -45.87 79.69 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 174.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.05 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.217 0.532 . . . . 0.0 110.118 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.81 -43.4 93.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.754 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -57.84 -42.56 84.66 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.213 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -66.02 -47.99 72.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.251 176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 25.5 m -69.02 -49.27 59.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.544 -175.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -57.75 -46.61 84.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.707 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.0 p -63.78 -53.14 55.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.732 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.21 -39.93 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.05 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' THR . 7.3 tmtt? -60.08 -38.62 83.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.251 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.8 m -81.84 -49.98 9.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.995 -174.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -79.34 -48.07 14.7 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.4 m -88.42 -28.13 21.1 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.55 -64.42 3.68 Favored Glycine 0 CA--C 1.523 0.585 0 O-C-N 123.653 0.596 . . . . 0.0 114.388 -175.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -58.52 -20.66 50.52 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.949 2.433 . . . . 0.0 113.93 -175.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.49 -79.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.434 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.483 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.3 pt -96.26 4.63 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 111.466 -174.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.1 -63.45 5.26 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.537 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.5 5.46 3.73 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.979 2.453 . . . . 0.0 113.087 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.6 mt -88.56 160.59 17.38 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -71.08 138.68 49.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.458 ' HA ' HG23 ' A' ' 47' ' ' VAL . 14.5 p -66.42 -22.03 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.562 0.696 . . . . 0.0 109.693 175.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.614 ' HG2' ' HB2' ' A' ' 87' ' ' ARG . 20.1 tm0? -75.07 -36.99 61.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.332 178.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -82.79 -7.63 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -177.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 44' ' ' VAL . 94.8 t -58.11 105.65 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.128 0.489 . . . . 0.0 111.068 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -116.89 167.07 11.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.007 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.46 ' O ' ' HG3' ' A' ' 53' ' ' MET . 1.4 m -58.36 -38.93 78.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.586 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -62.73 -39.07 92.93 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.007 0.432 . . . . 0.0 110.403 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.62 -38.77 90.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.674 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.46 -38.74 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.245 177.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.3 mtt -59.45 -37.45 78.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -61.56 -38.18 86.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.3 t -75.32 -42.98 43.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.097 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.5 mt -76.72 -24.35 53.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -172.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.591 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.7 t70 -47.0 -55.56 14.84 Favored Pre-proline 0 N--CA 1.474 0.751 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -175.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 71.8 Cg_endo -77.18 -19.29 13.67 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.841 1.694 . . . . 0.0 113.299 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.57 HG22 ' HB2' ' A' ' 67' ' ' ALA . 57.0 mt -77.66 -39.72 27.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 O-C-N 122.462 -0.149 . . . . 0.0 111.3 -175.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -58.79 -29.98 67.23 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.16 0.505 . . . . 0.0 111.221 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -77.77 -27.18 50.24 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.191 -177.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -94.9 -61.89 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.323 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -140.47 85.86 12.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.178 -172.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.54 -31.06 93.62 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.777 2.318 . . . . 0.0 112.467 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.41 -45.02 92.91 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.238 0.542 . . . . 0.0 110.454 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -71.22 -36.4 71.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.21 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.57 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -62.18 -40.99 97.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.519 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.1 m -65.65 -40.48 92.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.585 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -67.98 -38.49 82.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.887 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.2 tp -63.88 -39.34 93.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.915 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -54.47 -49.74 69.38 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.13 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.58 -41.92 98.99 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.5 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -68.12 -43.07 79.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.543 0.211 . . . . 0.0 110.977 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.06 -39.52 85.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.65 0.262 . . . . 0.0 110.604 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -56.25 -48.48 76.45 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.694 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.6 m -61.78 -43.78 98.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.493 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.14 -47.81 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.956 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.552 HD13 ' HD2' ' A' ' 92' ' ' PRO . 88.7 mt -65.78 -39.79 91.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.261 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 83' ' ' VAL . 32.4 t70 -65.52 -41.91 92.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.343 . . . . 0.0 110.357 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.419 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 64.9 t90 -58.11 -51.06 71.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.373 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.58 96.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.137 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.7 m -64.16 -43.27 95.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 79' ' ' ASP . 92.1 t -68.81 -40.04 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.82 178.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 24.8 mmm180 -69.24 -16.05 63.5 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.64 32.93 8.24 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.743 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -84.26 -15.02 48.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.025 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.614 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 11.5 ptt180 -164.48 164.48 21.87 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -96.08 176.1 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.56 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.54 -125.69 7.53 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.691 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -156.02 172.47 18.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 27.2 p-10 -90.86 143.19 28.37 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 118.395 0.543 . . . . 0.0 110.828 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.552 ' HD2' HD13 ' A' ' 78' ' ' LEU . 85.9 Cg_endo -87.82 5.68 5.35 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.019 2.479 . . . . 0.0 112.888 -174.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.49 -11.48 59.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -87.65 126.56 35.03 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.922 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -117.34 116.29 26.92 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.465 -178.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -73.17 -38.49 66.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.931 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.26 -21.47 2.79 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.24 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.6 t80 65.67 175.2 0.22 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.906 0.482 . . . . 0.0 110.648 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 121.267 0.556 . . . . 0.0 110.394 178.678 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.0 p -91.99 168.25 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.415 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -65.41 -39.89 92.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.587 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -64.49 -40.48 95.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.42 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 49.0 mt-10 -65.67 -49.39 68.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.4 t -60.88 -45.12 95.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.601 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.2 86.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.786 177.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -62.42 -30.81 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 77.7 mt -73.02 -43.76 61.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.642 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -56.76 -48.55 77.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.564 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.584 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 95.3 mt -58.51 -40.14 77.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.238 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 61.4 mttp -71.09 -45.06 64.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.751 0.31 . . . . 0.0 111.391 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.5 -28.92 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.003 0.43 . . . . 0.0 111.713 -176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -107.11 6.76 29.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.65 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.584 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -67.43 -37.58 83.24 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.626 0.25 . . . . 0.0 110.867 -175.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -67.08 -28.43 68.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.998 0.428 . . . . 0.0 110.889 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -70.89 -33.78 70.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.853 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.3 m0 . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.827 0.346 . . . . 0.0 111.235 -178.367 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -55.22 -35.08 64.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.346 -172.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.23 93.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.813 0.339 . . . . 0.0 110.642 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.1 -36.45 66.77 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -58.8 -41.87 87.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.186 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.406 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 8.4 m95 -71.61 -46.7 58.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 176.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.3 m -61.34 -50.27 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.53 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -54.78 -50.25 68.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.967 -170.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 m -61.44 -53.61 54.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.46 -42.0 89.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.043 -175.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -64.4 -32.99 74.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.022 0.439 . . . . 0.0 110.51 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.8 m -82.67 -51.59 7.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.22 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -79.07 -50.05 11.68 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -176.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' A' ' 70' ' ' LEU . 60.3 m -85.49 -30.66 23.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -174.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.423 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -49.71 -65.08 3.03 Favored Glycine 0 CA--C 1.522 0.474 0 O-C-N 123.877 0.736 . . . . 0.0 114.155 -175.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.77 -20.23 34.45 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.942 2.428 . . . . 0.0 113.811 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.602 HG11 HG22 ' A' ' 55' ' ' VAL . 29.1 t -100.63 -73.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.546 -176.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.8 pt -104.92 4.22 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.565 0.221 . . . . 0.0 111.567 -174.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.28 -63.69 4.95 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 116.159 -0.473 . . . . 0.0 113.33 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 5.0 Cg_exo -75.78 5.49 4.34 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.98 2.453 . . . . 0.0 113.016 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 39' ' ' ILE . 78.3 mt -86.31 153.16 22.17 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.455 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 32.7 t -61.97 141.53 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.439 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.1 -22.17 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.008 0.432 . . . . 0.0 110.142 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -80.18 -33.18 38.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 43' ' ' SER . 3.0 m-20 -69.95 -24.53 63.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.394 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.9 t -55.56 111.54 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.486 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -132.74 173.4 11.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.106 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -52.18 -49.25 64.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.902 0.751 . . . . 0.0 112.452 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -71.41 -34.13 70.07 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -174.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.36 -41.87 98.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.754 0.311 . . . . 0.0 110.252 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.94 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.079 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.47 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 65.8 mtt -61.1 -40.1 92.47 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.235 178.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -59.87 -37.12 78.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.47 0.176 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.602 HG22 HG11 ' A' ' 38' ' ' VAL . 39.3 t -70.47 -48.77 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -76.42 -28.78 56.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.325 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.602 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 1.3 t70 -51.68 -53.21 53.09 Favored Pre-proline 0 N--CA 1.47 0.53 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -174.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 21.7 Cg_exo -63.27 -34.74 66.4 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.911 1.741 . . . . 0.0 112.036 175.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 57.3 mt -71.64 -32.78 46.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.424 -174.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -54.59 -25.4 26.12 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.96 -39.37 42.78 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 120.841 0.353 . . . . 0.0 111.908 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 62' ' ' GLN . 2.0 mp0 -105.97 -42.17 5.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -174.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -125.1 69.17 58.62 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.879 -173.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -63.9 -49.37 4.08 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.2 1.934 . . . . 0.0 112.118 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 38.9 tt0 -60.54 -41.5 94.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.882 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 m -69.53 -39.38 77.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.661 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 71' ' ' ARG . . . -61.76 -39.57 92.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.002 0.43 . . . . 0.0 109.972 175.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -64.19 -43.0 96.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.471 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 43.8 mtt180 -61.87 -43.53 98.66 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.117 0.485 . . . . 0.0 110.36 176.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD21 ' SG ' ' A' ' 35' ' ' CYS . 31.5 tp -61.14 -38.09 85.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.053 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 35.8 mtm180 -55.07 -44.38 74.74 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.59 -38.83 95.07 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.384 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 77' ' ' VAL . 92.1 mtt180 -67.94 -44.96 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.659 0.266 . . . . 0.0 110.687 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.6 -38.76 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.016 0.436 . . . . 0.0 109.901 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.457 ' HA ' HD21 ' A' ' 91' ' ' ASN . 5.0 tm-20 -58.44 -48.08 81.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.533 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -66.97 -33.25 75.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.724 0.297 . . . . 0.0 111.7 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 73' ' ' ARG . 85.6 t -71.24 -44.51 73.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 120.851 0.358 . . . . 0.0 110.794 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.57 -38.59 91.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.334 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.04 -45.22 93.28 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.005 0.431 . . . . 0.0 110.088 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.459 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 77.5 t90 -58.18 -51.18 70.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' HD2' ' A' ' 86' ' ' TYR . . . -63.95 -32.91 74.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.737 0.303 . . . . 0.0 111.316 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.777 HG23 ' HA3' ' A' ' 89' ' ' GLY . 70.8 m -65.08 -49.69 69.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.956 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.7 t -70.62 -37.8 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -177.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 17.0 mmm180 -70.37 -25.35 63.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.264 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.31 37.62 5.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.288 175.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 81' ' ' ALA . 85.0 m-85 -91.25 -20.9 21.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.383 . . . . 0.0 110.277 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -161.63 157.93 25.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.78 142.3 56.14 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 170.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.777 ' HA3' HG23 ' A' ' 82' ' ' THR . . . -127.26 -132.75 3.68 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.2 -1.476 . . . . 0.0 115.673 -163.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.5 114.68 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 114.301 -0.949 . . . . 0.0 109.027 -160.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.516 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 14.6 t-20 -72.35 136.88 81.21 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.378 -161.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 93.9 Cg_endo -87.22 -10.66 5.57 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.066 2.51 . . . . 0.0 112.372 173.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.87 2.87 40.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.242 0.544 . . . . 0.0 110.676 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -102.68 114.78 29.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.698 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -113.61 147.36 38.2 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.43 -173.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -75.77 -21.22 57.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.669 0.747 . . . . 0.0 109.014 171.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.43 89.63 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.046 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.402 ' HD2' ' HG ' ' A' ' 99' ' ' LEU . 67.1 t80 -50.64 -53.67 29.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.023 0.439 . . . . 0.0 110.588 -177.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.402 ' HG ' ' HD2' ' A' ' 98' ' ' TYR . 89.1 mt . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 109.767 175.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 tpp . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.893 0.377 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 60.4 p -103.68 167.9 9.49 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.831 175.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.71 -41.62 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.433 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -60.09 -43.89 95.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.097 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 41.8 mt-10 -66.0 -45.65 80.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.12 -40.85 90.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.244 0.545 . . . . 0.0 110.071 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.48 94.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.234 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.22 75.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.074 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 92.7 mt -61.21 -49.59 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.968 0.413 . . . . 0.0 110.14 176.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -58.22 -44.9 88.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.735 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.24 -50.33 53.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.964 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -68.97 -34.54 75.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.453 0.168 . . . . 0.0 111.445 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.07 -6.77 36.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.323 . . . . 0.0 111.656 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -132.76 9.34 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.128 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -64.64 -36.27 83.72 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -172.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 m -72.72 -25.72 61.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.169 0.509 . . . . 0.0 110.588 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 m -86.9 -12.99 46.09 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.7 m0 . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.169 0.509 . . . . 0.0 111.987 -176.66 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.741 ' HB3' ' HB3' ' A' ' 25' ' ' ASP . 33.6 mtmt . . . . . 0 N--CA 1.469 0.478 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -55.23 -35.2 64.66 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 120.641 0.257 . . . . 0.0 110.691 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.13 -39.4 78.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.957 0.408 . . . . 0.0 111.113 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.741 ' HB3' ' HB3' ' A' ' 22' ' ' LYS . 38.4 t70 -66.07 -39.03 89.73 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.035 0.445 . . . . 0.0 109.874 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -58.39 -45.43 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.58 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -62.19 -51.22 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.974 177.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m -60.58 -48.99 79.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.196 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.48 -48.14 78.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.542 -173.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 p -64.9 -51.07 63.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.664 0.268 . . . . 0.0 111.64 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 73' ' ' ARG . 78.2 mt -61.39 -43.16 96.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.072 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 23.2 ttpp -64.21 -29.57 70.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.7 m -81.48 -51.99 7.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.031 0.443 . . . . 0.0 111.76 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -79.95 -49.32 12.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.3 m -87.95 -22.35 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.107 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.492 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -51.87 -67.64 1.92 Allowed Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.974 -0.557 . . . . 0.0 113.94 -175.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.97 -5.05 4.25 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 122.904 2.403 . . . . 0.0 114.057 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.0 t -107.61 -66.39 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 111.02 -178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.3 pt -116.77 2.45 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.627 -175.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.516 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -54.29 -63.57 5.06 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 116.088 -0.506 . . . . 0.0 113.329 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 6.7 Cg_exo -74.6 5.94 3.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.053 2.502 . . . . 0.0 113.028 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 39' ' ' ILE . 83.3 mt -94.44 168.05 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 47' ' ' VAL . 47.2 t -68.74 139.47 55.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.874 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.8 p -70.47 -20.02 22.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.502 0.668 . . . . 0.0 109.675 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.493 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 23.4 tm0? -77.16 -37.65 53.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.238 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.9 -18.86 60.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.121 -175.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.595 ' HA ' HD12 ' A' ' 51' ' ' LEU . 88.0 t -59.94 114.19 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.047 0.451 . . . . 0.0 110.468 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.445 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.6 t70 -133.76 -173.18 3.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.091 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 m -58.54 -43.24 89.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.58 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -57.92 -45.19 86.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.02 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 47' ' ' VAL . 78.2 mt -67.93 -46.22 72.13 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.328 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.472 HD12 ' HB2' ' A' ' 92' ' ' PRO . 67.2 mt -61.07 -44.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.551 0.215 . . . . 0.0 111.544 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.6 ptp -64.37 -34.44 78.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.858 0.361 . . . . 0.0 110.6 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.721 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.67 -37.57 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.224 177.04 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 51' ' ' LEU . 94.5 t -61.21 -45.99 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.531 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 59' ' ' ILE . 97.8 mt -72.21 -24.43 61.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.551 -177.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.6 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 4.8 t70 -48.11 -57.17 11.08 Favored Pre-proline 0 CA--C 1.541 0.606 0 O-C-N 123.705 0.628 . . . . 0.0 112.513 -174.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 72.9 Cg_endo -76.34 -14.57 18.28 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.744 1.629 . . . . 0.0 112.598 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 56' ' ' LEU . 61.2 mt -76.25 -34.38 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.561 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -60.99 -26.82 67.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.024 0.44 . . . . 0.0 110.743 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -75.94 -47.92 23.29 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.692 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.2 -65.25 0.87 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.936 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.691 ' HE3' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -132.36 85.6 48.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.511 -174.262 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.79 -26.54 79.65 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.592 2.195 . . . . 0.0 112.45 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -71.15 -45.1 64.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.456 0.646 . . . . 0.0 110.04 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -71.72 -31.02 66.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.174 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.08 75.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 111.13 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -70.23 -39.94 74.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -68.22 -37.54 80.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.231 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.46 -33.92 75.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.116 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -54.69 -37.34 65.69 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.403 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.59 -36.24 91.1 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.606 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.438 ' HB3' HD11 ' A' ' 31' ' ' ILE . 72.8 mtt85 -71.28 -45.33 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.16 -41.55 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.127 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HA ' HD21 ' A' ' 91' ' ' ASN . 37.9 tt0 -59.7 -49.03 79.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.234 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -60.94 -39.18 88.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.313 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.3 t -70.96 -47.34 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.008 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.73 -37.33 82.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.308 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -59.45 -47.15 86.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 109.912 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -62.21 -49.52 75.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.663 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.58 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.737 -177.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.2 m -65.3 -44.09 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.31 -33.14 60.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.077 0.465 . . . . 0.0 110.691 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -77.48 -4.12 43.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.847 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.2 13.3 68.88 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.364 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -78.92 -19.64 51.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.089 0.471 . . . . 0.0 110.057 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.493 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 8.4 ptm180 -159.19 150.49 20.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -109.9 166.33 11.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.995 0.426 . . . . 0.0 111.071 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.57 -143.14 15.78 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.472 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.25 -175.08 2.73 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.542 HD21 ' HA ' ' A' ' 75' ' ' GLU . 15.8 t30 -94.64 136.2 23.31 Favored Pre-proline 0 C--N 1.319 -0.743 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.791 -178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HB2' HD12 ' A' ' 52' ' ' ILE . 2.8 Cg_exo -79.17 -20.62 9.8 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.935 2.423 . . . . 0.0 113.5 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.44 2.06 23.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -75.2 -64.54 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.966 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.574 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER 69.96 125.13 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 177.307 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -74.09 -30.52 62.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.74 173.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 160.46 77.03 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.98 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.574 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 62.9 t80 -71.24 -42.01 69.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.065 0.459 . . . . 0.0 110.291 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.965 178.316 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.5 tpp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.2 p -91.97 167.32 12.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.9 -41.74 95.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.503 -177.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 m -62.44 -44.74 95.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.651 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -65.79 -45.44 82.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.93 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 t -60.91 -46.06 92.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.472 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.16 94.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.987 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.01 97.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.872 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.6 -39.75 94.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -57.5 -49.54 75.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.034 0.445 . . . . 0.0 110.405 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.46 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 80.1 mt -59.62 -48.38 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.857 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.72 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 97.7 mttt -68.9 -33.31 73.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.66 -178.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -18.01 62.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 111.184 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 61.2 m-70 -114.6 -11.31 12.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 10.6 ptm180 -54.16 -25.36 22.1 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -169.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 t -64.54 -38.29 90.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.053 0.454 . . . . 0.0 110.7 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -92.69 -15.11 27.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.126 0.965 . . . . 0.0 108.926 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 113.904 -1.498 . . . . 0.0 112.683 -171.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 pttt . . . . . 0 C--O 1.223 -0.293 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -55.71 -50.13 71.16 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 120.69 0.281 . . . . 0.0 111.292 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.54 80.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 110.325 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.87 -46.31 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.197 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.73 -33.56 68.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.724 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.506 ' CE3' ' HG3' ' A' ' 73' ' ' ARG . 8.8 m95 -76.79 -50.65 13.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 110.951 176.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.4 m -63.08 -47.5 82.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.203 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -56.56 -45.45 81.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.272 -175.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.493 ' HB ' HD13 ' A' ' 70' ' ' LEU . 8.3 p -62.76 -44.23 96.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.754 0.311 . . . . 0.0 111.722 -178.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.0 mt -73.6 -44.8 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.126 0.488 . . . . 0.0 110.776 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.84 -38.37 78.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.912 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.7 m -82.7 -53.79 5.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.029 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -80.36 -50.41 10.18 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -174.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -85.66 -31.26 22.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.635 -170.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -45.26 -64.71 2.15 Favored Glycine 0 CA--C 1.524 0.63 0 O-C-N 123.793 0.683 . . . . 0.0 114.784 -175.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.27 -20.04 49.54 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.402 2.068 . . . . 0.0 113.72 -174.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -96.94 -73.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.658 -174.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 42' ' ' LEU . 32.7 pt -101.03 -3.03 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.43 -174.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.96 -63.54 4.93 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.767 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 7.2 Cg_exo -74.43 5.21 3.84 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.981 2.454 . . . . 0.0 113.344 -177.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 39' ' ' ILE . 55.8 mt -92.34 150.69 20.69 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m -57.95 128.9 39.41 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.579 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.99 -22.72 31.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.379 0.609 . . . . 0.0 111.129 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 33.7 tt0 -77.97 -24.35 48.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.316 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -97.53 -0.24 46.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.465 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.36 123.73 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.663 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.466 ' HB2' ' HG ' ' A' ' 51' ' ' LEU . 46.0 m-20 -96.65 168.57 10.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.787 -177.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -68.3 -39.27 82.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.064 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -61.86 -42.02 98.55 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.746 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' A' ' 48' ' ' ASP . 55.0 mt -59.08 -41.87 89.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.663 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.27 -42.41 90.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.0 -44.36 87.18 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 120.891 0.377 . . . . 0.0 110.517 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.14 -42.02 84.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.409 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 51' ' ' LEU . 61.3 t -70.16 -41.43 78.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.444 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.3 mt -79.18 -24.23 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.349 -174.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.625 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 12.8 t70 -46.5 -57.6 8.35 Favored Pre-proline 0 N--CA 1.474 0.742 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 55.8 Cg_endo -70.45 -11.94 30.77 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.855 1.703 . . . . 0.0 112.521 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.457 HG22 ' HB2' ' A' ' 67' ' ' ALA . 29.4 mt -91.78 -36.92 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.65 -178.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.507 ' O ' ' HG3' ' A' ' 64' ' ' PRO . 50.6 m95 -53.68 -34.05 57.42 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.074 0.464 . . . . 0.0 111.543 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -82.74 -40.69 20.2 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.701 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -84.83 -54.18 4.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.554 -174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -135.07 77.31 56.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.455 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HG3' ' O ' ' A' ' 60' ' ' TRP . 25.9 Cg_exo -60.84 -35.41 88.63 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.729 2.286 . . . . 0.0 111.868 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.56 -45.67 93.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.437 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.4 m -72.69 -33.9 66.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.81 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -61.87 -48.48 80.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.33 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -68.13 -33.39 74.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.899 0.381 . . . . 0.0 111.023 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -72.12 -33.24 67.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.82 177.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.493 HD13 ' HB ' ' A' ' 30' ' ' THR . 64.8 tp -65.95 -34.95 79.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.077 176.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -58.25 -38.54 77.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.58 -32.07 80.02 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.522 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.506 ' HG3' ' CE3' ' A' ' 27' ' ' TRP . 6.3 mpt_? -66.35 -51.98 51.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.974 0.416 . . . . 0.0 110.031 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.0 mt -67.3 -39.72 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.478 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' HA ' HD21 ' A' ' 91' ' ' ASN . 36.2 tt0 -58.01 -47.51 82.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.152 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.7 t -75.44 -32.47 60.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.966 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 73' ' ' ARG . 75.5 t -67.49 -44.53 86.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.669 0.271 . . . . 0.0 110.53 177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.535 HD13 ' HD2' ' A' ' 92' ' ' PRO . 99.0 mt -66.98 -33.8 76.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 0.0 110.336 176.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.66 -47.06 87.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.419 0.628 . . . . 0.0 109.804 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -63.17 -45.8 90.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.868 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -61.25 -35.19 76.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.671 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 89.7 m -62.56 -43.45 98.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.051 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.6 t -72.72 -40.51 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.723 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.591 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -72.32 -10.34 59.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.92 177.732 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.15 13.95 63.16 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.798 172.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.47 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 63.6 m-85 -68.81 -32.24 71.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.292 0.568 . . . . 0.0 109.945 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -150.09 152.72 35.22 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 170.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.07 176.13 8.97 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.121 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.98 99.41 0.06 OUTLIER Glycine 0 C--N 1.331 0.269 0 CA-C-N 115.954 -0.566 . . . . 0.0 114.457 -171.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' OD2' ' HD3' ' A' ' 92' ' ' PRO . 28.3 t70 -169.69 137.73 1.77 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.098 0.559 . . . . 0.0 109.778 174.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.441 HD21 ' HA ' ' A' ' 75' ' ' GLU . 22.9 t-20 -135.42 87.77 26.53 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.303 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.535 ' HD2' HD13 ' A' ' 78' ' ' LEU . 43.6 Cg_endo -67.94 -5.43 14.55 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.979 2.453 . . . . 0.0 113.159 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.13 -46.69 10.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.549 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 94' ' ' ARG . 26.5 ttp180 -72.1 132.09 43.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.556 0.693 . . . . 0.0 111.569 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.463 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 1.4 m-90 -120.34 148.94 43.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.063 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -102.83 -29.3 11.54 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -157.92 56.29 0.37 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.733 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.463 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 86.1 t80 -65.25 -41.56 94.17 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 173.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.047 177.313 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 tpp . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.865 0.364 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 60.1 p -95.5 166.4 11.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.17 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.2 -40.34 89.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.294 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 m -63.51 -43.48 97.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 43.0 mt-10 -65.42 -48.13 73.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.845 0.355 . . . . 0.0 111.064 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.3 t -62.17 -43.44 98.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.213 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.15 89.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.622 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.79 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.062 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 87.8 mt -64.28 -41.63 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.484 177.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -62.59 -40.17 96.06 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.321 0.581 . . . . 0.0 109.938 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.97 -49.11 83.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.949 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.67 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 89.8 mttt -61.34 -32.85 72.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.848 0.356 . . . . 0.0 111.263 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.95 -10.35 56.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.63 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -129.27 4.59 5.21 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.67 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 11.5 ptm180 -65.69 -20.44 66.29 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.029 0.442 . . . . 0.0 110.807 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -69.73 -36.04 75.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.534 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -83.1 -30.75 27.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.229 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.5 m0 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.84 179.705 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt . . . . . 0 CA--C 1.529 0.171 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -58.67 -42.79 89.27 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 111.362 0.134 . . . . 0.0 111.362 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.9 -46.53 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.925 0.393 . . . . 0.0 110.76 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.68 -47.94 70.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -63.25 -30.56 71.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.059 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.566 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 6.4 m95 -61.04 -47.1 87.98 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.228 172.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -67.77 -41.43 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.171 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -54.74 -50.29 68.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.901 -173.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.474 HG22 HD13 ' A' ' 70' ' ' LEU . 14.6 m -68.42 -43.16 77.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.551 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.49 -41.5 88.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.964 0.411 . . . . 0.0 110.525 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -58.69 -37.57 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.314 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.5 m -79.7 -55.45 5.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.85 -173.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.22 -49.81 9.69 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.3 m -84.97 -32.25 23.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.506 -171.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.476 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -44.45 -63.82 2.28 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 123.758 0.661 . . . . 0.0 114.644 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.97 -18.1 63.38 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.905 2.403 . . . . 0.0 113.845 -175.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 t -108.2 -77.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.678 -175.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 42' ' ' LEU . 32.5 pt -94.92 3.52 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 111.512 -174.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -55.74 -63.99 4.79 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.968 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 10.4 Cg_exo -72.45 -5.78 17.8 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.92 2.413 . . . . 0.0 112.853 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 39' ' ' ILE . 73.0 mt -76.36 141.4 41.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.888 0.375 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.425 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 13.8 m -65.2 141.85 58.52 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.912 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.72 -24.47 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -83.86 -21.34 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.34 0.59 . . . . 0.0 110.291 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' A' ' 43' ' ' SER . 1.7 m-20 -88.86 -28.56 20.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.019 -175.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.549 ' HA ' HD12 ' A' ' 51' ' ' LEU . 61.4 t -65.73 116.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.805 0.336 . . . . 0.0 110.302 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.463 ' OD1' ' HG ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -113.33 -174.7 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.336 -179.482 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 53' ' ' MET . 25.6 m -59.97 -42.35 93.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.707 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -69.0 -40.09 78.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.725 0.297 . . . . 0.0 110.454 -175.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 47' ' ' VAL . 77.2 mt -61.7 -38.81 89.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.762 177.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.518 HD13 ' HB2' ' A' ' 93' ' ' ALA . 81.0 mt -68.93 -36.36 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.424 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 49' ' ' THR . 63.2 mtt -56.8 -45.13 82.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.762 176.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 40.4 mtpt -59.13 -36.53 75.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.383 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.63 -44.13 70.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.957 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.35 -30.15 57.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.556 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.7 t70 -48.3 -55.22 19.69 Favored Pre-proline 0 N--CA 1.472 0.673 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 60.6 Cg_endo -73.63 -14.14 24.67 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.968 1.779 . . . . 0.0 112.976 -179.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.9 mt -80.41 -31.02 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 122.326 -0.234 . . . . 0.0 110.446 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -61.28 -24.41 66.38 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.094 0.473 . . . . 0.0 110.552 175.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 7.5 mm-40 -69.9 -46.94 64.33 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.741 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HG2' ' HG3' ' A' ' 63' ' ' LYS . 26.9 tt0 -87.82 -59.07 2.35 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.142 -173.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.532 ' HB2' ' HB ' ' A' ' 66' ' ' THR . 21.9 mtpp -137.83 86.93 17.46 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.99 -171.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.57 -50.03 15.46 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.038 2.492 . . . . 0.0 113.617 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 36.3 tt0 -66.41 -35.72 81.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.005 0.431 . . . . 0.0 110.44 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 63' ' ' LYS . 80.2 m -69.98 -32.73 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.645 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.33 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.487 . . . . 0.0 109.922 173.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 m -68.98 -41.57 77.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.678 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.504 ' HE ' ' HA ' ' A' ' 66' ' ' THR . 82.0 mtm180 -68.51 -34.71 76.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.357 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 74' ' ' ILE . 58.7 tp -66.45 -45.83 78.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -39.41 84.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.403 178.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.67 -43.74 98.68 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.595 -0.729 . . . . 0.0 113.035 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.566 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 18.4 ptp180 -72.93 -34.23 66.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.148 0.474 . . . . 0.0 110.818 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 70' ' ' LEU . 77.9 mt -59.6 -39.79 80.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 110.605 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HA ' HD21 ' A' ' 91' ' ' ASN . 35.8 tt0 -54.98 -48.16 73.62 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.445 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.2 m -62.59 -36.34 82.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.683 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.7 t -71.19 -49.17 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.12 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.439 HD13 ' HG2' ' A' ' 92' ' ' PRO . 88.9 mt -64.44 -42.42 95.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.707 -176.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -68.77 -29.22 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.173 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -69.51 -40.15 77.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.026 0.441 . . . . 0.0 110.169 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -59.48 -36.71 76.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.174 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.63 HG21 ' HA2' ' A' ' 89' ' ' GLY . 29.7 m -63.42 -42.56 98.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.013 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 79' ' ' ASP . 66.9 t -62.25 -39.02 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.046 0.451 . . . . 0.0 110.255 177.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -76.86 -6.09 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.587 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.09 29.76 56.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.841 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.42 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 42.6 m-85 -84.31 -26.86 28.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.358 . . . . 0.0 110.568 176.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -146.42 175.19 10.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.561 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -79.4 167.65 20.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.654 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.63 ' HA2' HG21 ' A' ' 82' ' ' THR . . . -72.74 169.99 51.77 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.91 -0.586 . . . . 0.0 113.766 -175.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 48.9 t0 65.58 124.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 122.33 1.062 . . . . 0.0 111.306 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.411 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 30.6 t-20 -84.01 139.42 39.82 Favored Pre-proline 0 C--N 1.316 -0.881 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.916 -167.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.439 ' HG2' HD13 ' A' ' 78' ' ' LEU . 57.6 Cg_endo -74.39 -21.38 17.42 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.661 2.241 . . . . 0.0 112.563 175.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.518 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -95.39 11.95 30.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.903 0.382 . . . . 0.0 110.621 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 95' ' ' TRP . 65.7 ttt180 -65.25 -73.88 0.12 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.143 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.421 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 1.6 m-90 72.11 132.62 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.872 0.844 . . . . 0.0 112.637 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 96' ' ' ARG . 45.4 mtp180 -98.83 -32.73 11.2 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.513 174.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.01 75.14 0.18 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.022 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -70.16 -59.39 2.92 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--N 1.325 -0.482 0 CA-C-O 121.488 0.661 . . . . 0.0 109.277 171.702 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.446 0.165 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 53.0 p -103.09 165.59 10.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -64.47 -40.63 96.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.252 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -59.23 -47.39 85.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.72 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 47.4 mt-10 -61.57 -49.55 76.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.994 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 33.7 t -63.08 -47.71 81.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.986 -175.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.85 81.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.875 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.68 96.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 83.0 mt -63.04 -39.34 94.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.919 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -57.61 -49.76 75.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.331 0.586 . . . . 0.0 110.695 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.56 -46.74 79.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.912 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 58.2 mtpt -65.69 -34.01 77.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.54 -34.1 65.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 0.0 111.378 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -96.47 0.05 49.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.731 0.301 . . . . 0.0 110.628 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.574 ' HA ' ' HB2' ' A' ' 18' ' ' TRP . 13.3 ptm180 -66.2 -24.5 66.63 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 120.65 0.262 . . . . 0.0 110.783 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -57.28 -42.73 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.154 0.502 . . . . 0.0 110.421 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 m -86.98 -8.41 57.23 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.574 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 36.5 m0 . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.23 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HE3' ' HB2' ' A' ' 22' ' ' LYS . 18.3 ptmt . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.469 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 5.2 p80 -57.96 -29.46 65.22 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.761 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.52 80.61 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.184 0.516 . . . . 0.0 110.48 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -67.18 -42.61 83.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.126 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.63 -38.22 77.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.584 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.469 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 16.2 m95 -58.45 -52.0 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.973 0.416 . . . . 0.0 110.514 174.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -64.99 -45.47 85.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.557 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -58.79 -46.36 87.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.243 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 p -70.78 -47.24 60.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.457 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.23 -41.31 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.151 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -37.44 76.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.243 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.6 m -81.88 -52.48 7.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.602 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -79.84 -49.7 11.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.6 m -94.01 -23.34 18.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -171.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.71 -64.73 3.49 Favored Glycine 0 CA--C 1.523 0.538 0 O-C-N 123.494 0.496 . . . . 0.0 113.843 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.16 -4.99 10.1 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.923 2.416 . . . . 0.0 113.764 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.71 -65.81 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.564 0.221 . . . . 0.0 111.544 -176.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.501 ' HA ' HD12 ' A' ' 42' ' ' LEU . 29.9 pt -114.69 3.6 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -173.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.98 -63.99 4.76 Favored Glycine 0 CA--C 1.526 0.727 0 O-C-N 123.299 0.375 . . . . 0.0 113.898 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.48 3.95 5.92 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.656 2.237 . . . . 0.0 113.41 -178.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 39' ' ' ILE . 87.2 mt -82.13 163.69 21.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 46.6 t -70.27 150.8 46.0 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.075 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 87' ' ' ARG . 11.8 p -66.55 -18.86 24.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.205 0.526 . . . . 0.0 110.584 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.487 ' HB3' ' HB2' ' A' ' 87' ' ' ARG . 3.3 pt20 -103.77 -9.35 19.13 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 122.06 -0.4 . . . . 0.0 111.548 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.541 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 5.1 m-20 -93.0 4.78 53.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 175.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.95 104.36 2.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 171.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.491 ' H ' HD12 ' A' ' 51' ' ' LEU . 55.7 m-20 -88.77 165.32 14.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.451 0.643 . . . . 0.0 111.533 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 53' ' ' MET . 23.0 m -66.97 -41.36 86.96 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.815 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 53' ' ' MET . 2.6 tmtm? -69.67 -32.69 71.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.428 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.498 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 43.6 mt -65.95 -38.63 89.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.301 . . . . 0.0 111.084 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 48' ' ' ASP . 43.4 mt -68.38 -34.38 65.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.921 0.391 . . . . 0.0 110.327 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.429 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.3 mtt -55.5 -41.86 73.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.723 175.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 51' ' ' LEU . 26.6 mtpp -56.07 -38.15 70.28 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.122 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 59' ' ' ILE . 39.9 t -77.98 -48.22 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.86 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.4 mt -72.42 -37.0 68.73 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -170.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 16.9 t70 -51.43 -55.19 31.26 Favored Pre-proline 0 N--CA 1.472 0.627 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -173.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 37.1 Cg_endo -68.49 -23.26 37.61 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.173 1.915 . . . . 0.0 112.386 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 55' ' ' VAL . 57.0 mt -73.88 -25.86 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.598 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.541 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 85.1 m95 -60.33 -26.36 66.51 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.732 0.301 . . . . 0.0 111.4 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -81.68 -31.7 32.12 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.782 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 62' ' ' GLN . 15.8 mm-40 -90.63 -58.45 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.421 -176.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -140.4 85.15 13.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.8 -175.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.85 -37.33 94.33 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.33 2.02 . . . . 0.0 112.329 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.02 -46.23 88.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.405 0.621 . . . . 0.0 110.34 178.057 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.0 m -71.41 -34.44 70.35 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.064 -177.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.76 96.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.97 0.414 . . . . 0.0 110.907 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.5 p -71.43 -34.84 70.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 48.3 mtp180 -71.97 -35.06 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.343 . . . . 0.0 111.155 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.63 -39.98 93.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.141 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -56.34 -46.35 79.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.644 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.02 -40.38 95.17 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.729 -0.668 . . . . 0.0 113.178 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -71.61 -33.92 69.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.127 0.464 . . . . 0.0 110.834 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.33 -44.03 97.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.15 -43.73 70.83 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -60.28 -40.96 92.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.339 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.1 -48.76 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.094 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.444 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 87.4 mt -60.41 -41.84 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.81 -43.6 95.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.834 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -59.4 -47.01 87.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.746 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -62.83 -35.97 81.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.252 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.402 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 55.2 m -62.72 -47.45 83.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.439 0.161 . . . . 0.0 110.695 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.64 -44.02 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.927 0.394 . . . . 0.0 110.708 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -68.72 -25.5 64.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.29 30.44 8.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.724 . . . . 0.0 113.036 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -100.6 1.61 40.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.942 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.549 ' HB3' HG13 ' A' ' 44' ' ' VAL . 8.9 ptm180 -163.73 174.41 11.68 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.45 -179.03 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.937 0.399 . . . . 0.0 111.339 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.402 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -94.27 25.39 22.61 Favored Glycine 0 C--N 1.33 0.21 0 N-CA-C 115.025 0.77 . . . . 0.0 115.025 -167.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -116.01 140.02 49.68 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 117.188 0.494 . . . . 0.0 110.494 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -119.45 90.22 42.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.623 0.249 . . . . 0.0 111.065 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.33 -10.63 11.25 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.671 2.914 . . . . 0.0 113.824 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.17 -9.24 58.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 110.639 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -95.2 131.4 41.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 172.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.766 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -123.25 128.76 50.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -167.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -115.61 -15.89 11.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.706 168.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.55 44.36 1.27 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.75 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.766 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 18.8 t80 -110.15 133.11 53.55 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 N--CA 1.445 -0.68 0 O-C-N 123.697 0.623 . . . . 0.0 110.804 -178.652 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 tpp . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.893 0.378 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.9 p -95.52 164.14 12.92 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.17 -40.0 92.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.4 m -58.8 -46.91 86.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.634 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.8 mt-10 -62.33 -48.91 77.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -63.33 -46.79 85.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.41 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.86 98.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.731 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.83 94.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.01 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 72.1 mt -64.15 -41.74 97.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.713 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -57.85 -45.7 85.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.134 0.492 . . . . 0.0 110.211 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.43 HG23 ' HZ3' ' A' ' 18' ' ' TRP . 99.3 mt -69.83 -49.82 54.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.327 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.647 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 55.0 tttm -65.59 -34.89 79.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.58 -175.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.36 2.65 20.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.2 -0.312 . . . . 0.0 111.449 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -136.7 6.17 2.93 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 111.4 0.148 . . . . 0.0 111.4 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 13.9 ptm180 -64.29 -39.72 94.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 0.0 110.789 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 m -71.16 -21.09 62.22 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.193 0.52 . . . . 0.0 110.8 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -80.63 -40.19 26.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.242 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.43 ' HZ3' HG23 ' A' ' 11' ' ' ILE . 54.9 m0 . . . . . 0 C--O 1.235 0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.443 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt . . . . . 0 C--O 1.226 -0.176 0 CA-C-O 120.745 0.307 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -45.9 92.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.678 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -35.29 79.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.134 0.493 . . . . 0.0 110.477 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.27 -46.87 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.893 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -57.38 -40.55 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.641 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.536 ' CE3' ' HG3' ' A' ' 73' ' ' ARG . 40.4 m95 -60.0 -51.25 70.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.778 0.323 . . . . 0.0 111.01 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 m -69.91 -46.68 64.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.615 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.82 -49.83 76.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.022 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.582 HG22 HD13 ' A' ' 70' ' ' LEU . 13.3 m -65.77 -46.72 77.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.591 0.234 . . . . 0.0 111.298 -175.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.8 mt -64.41 -45.01 97.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.807 0.337 . . . . 0.0 110.837 -178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -58.8 -38.28 78.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.43 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.0 m -82.54 -53.5 5.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.002 -172.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -81.12 -49.17 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 70' ' ' LEU . 62.9 m -81.73 -27.37 33.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -174.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.52 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -46.59 -64.1 2.78 Favored Glycine 0 CA--C 1.527 0.809 0 O-C-N 123.758 0.661 . . . . 0.0 114.432 -176.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -63.14 -9.41 17.11 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.895 2.397 . . . . 0.0 114.367 -174.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.4 t -115.59 -78.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.467 -177.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.573 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.6 pt -93.57 -5.62 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.541 -173.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.85 -63.61 4.38 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 123.586 0.554 . . . . 0.0 113.623 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 4.4 Cg_exo -80.83 5.64 6.05 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.979 2.452 . . . . 0.0 113.012 -178.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.3 mt -87.57 156.75 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 m -61.13 135.91 57.91 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.637 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.31 -24.98 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.703 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -80.3 -34.44 36.85 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.26 -18.43 62.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.987 -175.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 51' ' ' LEU . 60.8 t -62.21 108.5 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -122.76 -173.34 2.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.572 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.469 ' OG1' ' HB3' ' A' ' 92' ' ' PRO . 6.9 m -58.93 -42.18 89.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.748 -176.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.14 -45.39 94.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.138 0.494 . . . . 0.0 110.609 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 47' ' ' VAL . 85.7 mt -65.74 -39.79 91.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.077 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -69.48 -41.14 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.1 mtt -59.45 -41.33 89.4 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.458 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 39.9 mtpt -56.74 -37.92 71.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.312 . . . . 0.0 111.37 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.98 -49.2 40.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.98 -33.82 63.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -172.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.572 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 11.1 t70 -48.25 -56.21 15.14 Favored Pre-proline 0 N--CA 1.47 0.55 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 58.0 Cg_endo -72.83 -16.16 26.34 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 121.866 1.711 . . . . 0.0 113.056 -178.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mt -78.4 -29.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.219 -0.192 . . . . 0.0 110.802 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -57.44 -32.89 67.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.847 0.356 . . . . 0.0 111.699 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -77.9 -32.74 51.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.65 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -91.11 -56.68 3.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.602 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -141.25 80.32 16.82 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.256 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.62 -44.0 34.93 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.923 2.415 . . . . 0.0 113.03 -174.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -62.48 -40.08 95.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.162 0.505 . . . . 0.0 110.668 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -65.91 -36.25 82.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.89 98.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.891 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.448 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 11.1 t -69.2 -39.9 78.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.95 -35.66 79.09 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.582 HD13 HG22 ' A' ' 30' ' ' THR . 62.9 tp -63.24 -39.23 94.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.321 176.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HE ' ' HA ' ' A' ' 68' ' ' SER . 40.8 mtm105 -59.22 -41.57 88.95 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.166 176.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.39 -37.67 93.52 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.163 -0.542 . . . . 0.0 112.048 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.536 ' HG3' ' CE3' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -63.92 -50.24 69.49 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.602 0.239 . . . . 0.0 110.425 175.598 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 56.2 mt -66.29 -44.07 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -177.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HA ' HD21 ' A' ' 91' ' ' ASN . 36.5 tt0 -55.26 -47.95 74.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -66.08 -36.89 84.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.293 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 73' ' ' ARG . 89.4 t -70.62 -44.37 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.732 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 70.3 mt -64.33 -38.66 91.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.727 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.55 -46.99 87.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.044 0.449 . . . . 0.0 110.305 175.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.436 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 70.3 t90 -60.93 -47.15 87.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.167 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.68 -31.06 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.308 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.457 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 96.6 m -65.94 -49.26 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.614 176.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.9 t -66.99 -32.04 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 25.9 mmm180 -80.75 -11.54 59.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.44 35.53 32.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.208 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -96.24 -19.12 19.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.854 0.359 . . . . 0.0 110.619 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -153.63 176.37 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.59 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.6 169.31 17.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.277 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.457 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -86.39 16.44 44.49 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.91 -0.586 . . . . 0.0 114.344 -170.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 24.5 t70 -98.15 133.69 42.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.412 HD21 ' HA ' ' A' ' 75' ' ' GLU . 44.6 t-20 -116.29 89.33 25.91 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.539 -175.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HB3' ' OG1' ' A' ' 49' ' ' THR . 16.2 Cg_exo -68.04 -3.89 11.48 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.359 2.706 . . . . 0.0 113.409 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.56 -14.02 55.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.243 0.544 . . . . 0.0 110.462 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -105.85 131.74 52.81 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.898 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.423 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 1.4 m-90 -117.24 148.12 41.92 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.11 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -104.62 -20.19 13.74 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -128.62 -88.13 0.56 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.912 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.423 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 31.5 t80 60.98 -73.76 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.741 0.816 . . . . 0.0 112.395 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--O 1.233 0.203 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.11 -176.242 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.0 tpp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p -95.62 170.12 9.55 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.49 -36.88 83.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.867 0.365 . . . . 0.0 110.064 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 t -63.57 -43.65 96.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.241 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 38.7 mt-10 -64.7 -49.47 70.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.078 0.466 . . . . 0.0 111.056 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 t -65.46 -39.94 92.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.938 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.41 85.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.523 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.32 75.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.995 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 92.7 mt -67.63 -41.2 84.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.38 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -56.83 -46.78 81.47 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.38 0.609 . . . . 0.0 109.737 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 97.0 mt -59.63 -48.57 86.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.08 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 60.6 mttm -60.57 -40.46 91.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.635 0.255 . . . . 0.0 111.658 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.68 -4.72 24.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.775 0.321 . . . . 0.0 111.735 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -128.71 9.97 5.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.83 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 18.6 mmm180 -59.67 -39.44 84.5 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.208 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -59.33 -34.96 72.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.078 0.466 . . . . 0.0 111.165 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 m -82.19 -15.96 51.38 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.713 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -111.97 36.09 3.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.98 -174.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.53 ' HB2' ' N ' ' A' ' 21' ' ' THR . 68.8 mmtt 76.85 -156.75 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 116.876 -1.535 . . . . 0.0 109.785 171.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.528 ' C ' ' HB3' ' A' ' 19' ' ' LYS . 13.9 m120 -51.64 98.86 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 121.056 3.724 . . . . 0.0 121.056 65.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.53 ' N ' ' HB2' ' A' ' 19' ' ' LYS . 7.6 p -144.76 168.68 19.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 112.668 -2.06 . . . . 0.0 109.286 160.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 21.0 mtpt -85.91 10.26 14.46 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.493 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 69.0 m-70 -62.92 -42.23 99.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.22 84.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.23 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.61 -45.61 86.13 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.406 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -58.26 -42.16 85.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.462 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.493 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 23.6 m95 -60.29 -51.53 69.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.719 0.295 . . . . 0.0 110.394 175.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -61.14 -48.8 79.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.992 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.4 -46.82 84.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.992 -173.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m -60.93 -48.1 83.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.811 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.43 -44.6 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.791 -178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 4.1 ttpm? -59.62 -34.91 73.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.5 m -82.37 -53.03 6.34 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.821 -175.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -79.32 -49.24 12.73 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -95.37 -15.97 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.329 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 32' ' ' LYS . . . -54.64 -64.62 4.16 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.877 -0.601 . . . . 0.0 114.108 -175.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.0 -7.93 14.74 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.783 2.322 . . . . 0.0 113.473 -176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 t -107.57 -71.61 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.775 0.321 . . . . 0.0 111.442 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.9 pt -107.23 -0.4 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.531 -174.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.52 -63.59 4.78 Favored Glycine 0 CA--C 1.522 0.488 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.321 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.87 5.17 5.86 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.662 2.241 . . . . 0.0 112.988 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 39' ' ' ILE . 85.9 mt -87.92 155.59 19.78 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.528 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 39.5 t -63.86 137.76 58.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.573 0.225 . . . . 0.0 110.448 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.18 -18.87 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.398 0.618 . . . . 0.0 110.13 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.902 HE21 ' HA ' ' A' ' 87' ' ' ARG . 32.8 tt0 -85.03 -32.05 23.11 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.185 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 4.1 m-20 -91.24 10.2 28.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.919 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 43' ' ' SER . 96.3 t -70.23 120.74 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 173.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' H ' HD12 ' A' ' 51' ' ' LEU . 26.8 t70 -115.18 163.59 15.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.99 0.424 . . . . 0.0 111.094 -175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -61.14 -37.83 84.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.567 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 7.8 ttmm -58.16 -45.37 87.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.2 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 55' ' ' VAL . 79.5 mt -63.77 -41.69 97.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.847 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 93' ' ' ALA . 60.8 mt -68.11 -43.12 85.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.844 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 72.8 mtm -64.89 -34.18 77.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.056 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 55.9 mtpt -60.83 -37.1 80.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.048 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 51' ' ' LEU . 40.2 t -77.25 -49.27 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.1 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.38 -36.0 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -171.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.658 ' HA ' ' HD1' ' A' ' 60' ' ' TRP . 7.7 t70 -56.93 -52.79 71.3 Favored Pre-proline 0 N--CA 1.47 0.533 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -173.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 52.0 Cg_exo -52.66 -38.01 75.82 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.262 1.974 . . . . 0.0 112.663 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 55' ' ' VAL . 57.3 mt -67.61 -33.09 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.332 -175.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.658 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 91.5 m95 -57.37 -34.34 68.74 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.768 0.318 . . . . 0.0 111.41 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -67.11 -44.8 79.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.542 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -91.79 -53.24 4.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.015 -175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -133.65 79.55 58.8 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.795 -173.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -65.21 -32.9 50.99 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.364 2.043 . . . . 0.0 111.744 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.52 -43.67 93.31 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.274 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.8 m -68.83 -37.65 79.32 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.731 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.48 97.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.604 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.0 m -63.85 -45.24 90.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.639 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -67.19 -40.32 86.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.891 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 74' ' ' ILE . 56.5 tp -67.82 -37.82 82.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.685 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.453 ' HD2' ' O ' ' A' ' 71' ' ' ARG . 2.6 tmm_? -59.22 -40.95 87.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.85 -38.9 96.8 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.289 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 77' ' ' VAL . 92.4 mtt180 -64.78 -43.72 92.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.583 0.23 . . . . 0.0 110.777 178.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 70' ' ' LEU . 68.8 mt -60.54 -41.55 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.601 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -47.79 84.11 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.476 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.8 m -62.81 -40.47 97.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.913 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 73' ' ' ARG . 94.1 t -69.62 -47.49 71.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.051 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.557 HD13 ' HD2' ' A' ' 92' ' ' PRO . 85.3 mt -67.05 -34.17 77.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.278 -178.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 83' ' ' VAL . 10.1 t70 -62.27 -46.4 88.96 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.427 ' CZ2' ' HG3' ' A' ' 84' ' ' ARG . 90.7 t90 -61.44 -44.71 96.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.461 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.07 -36.7 77.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.396 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.4 m -66.6 -43.11 85.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.74 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 79' ' ' ASP . 59.8 t -65.61 -42.83 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.073 0.463 . . . . 0.0 110.658 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HG3' ' CZ2' ' A' ' 80' ' ' TRP . 9.6 mmm180 -69.28 -25.58 64.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.701 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.24 56.51 1.57 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.136 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -123.08 8.46 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.902 ' HA ' HE21 ' A' ' 45' ' ' GLN . 8.2 ptm85 -167.92 -39.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 121.205 -0.198 . . . . 0.0 111.502 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.47 177.65 0.08 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.48 0.712 . . . . 0.0 112.397 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.19 -126.26 7.3 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.814 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -137.49 -176.03 4.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -101.08 143.13 26.0 Favored Pre-proline 0 N--CA 1.441 -0.917 0 CA-C-O 120.93 0.395 . . . . 0.0 111.886 -172.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.557 ' HD2' HD13 ' A' ' 78' ' ' LEU . 69.3 Cg_endo -78.37 -13.19 15.27 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.595 2.196 . . . . 0.0 111.739 175.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.509 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -98.76 6.83 46.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.557 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -66.88 -54.19 24.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.101 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 67.25 119.98 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.605 0.717 . . . . 0.0 112.271 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -88.98 9.03 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.742 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 150.68 84.81 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.074 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -91.24 157.06 17.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 80.4 mt 58.7 17.47 5.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.096 0.558 . . . . 0.0 111.458 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 104' ' ' HIS . 12.4 tp10 -65.54 156.21 33.29 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.837 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 75.21 -43.15 0.5 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.742 0.817 . . . . 0.0 111.377 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -87.55 -44.57 11.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.034 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -146.83 -73.94 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.409 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 4.9 t-160 58.96 -95.51 0.06 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.977 0.511 . . . . 0.0 110.075 -172.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 14.8 t-80 169.62 -90.96 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' ' 105' ' ' HIS . 36.2 t-80 . . . . . 0 C--O 1.244 0.805 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 ttm . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.127 0.489 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 47.9 p -83.84 171.28 13.25 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.048 177.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -67.09 -34.55 77.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -59.26 -47.22 86.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.185 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 38.5 mt-10 -63.85 -49.72 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.213 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.1 -49.35 72.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.249 -175.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 11' ' ' ILE . . . -57.71 -44.29 85.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.821 178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.36 94.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.318 . . . . 0.0 110.689 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 82.0 mt -63.29 -43.08 98.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.654 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -60.71 -46.95 88.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.568 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.687 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 91.1 mt -58.41 -44.72 89.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.83 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 86.1 mttt -71.02 -37.86 72.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.636 0.255 . . . . 0.0 111.206 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.39 -40.45 64.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.594 -176.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -103.85 12.93 33.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.742 0.306 . . . . 0.0 111.042 -173.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.687 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 16.3 ptm180 -67.29 -30.51 70.39 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.608 -177.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -74.82 -14.44 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.165 0.507 . . . . 0.0 110.626 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t -83.2 -12.53 56.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.414 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.409 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 16.7 m0 -111.45 36.5 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.78 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.758 ' HB2' HG23 ' A' ' 21' ' ' THR 0.316 27.3 mtpp 76.68 -151.6 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 116.572 -1.68 . . . . 0.0 109.001 -174.194 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.525 ' C ' ' HB3' ' A' ' 19' ' ' LYS . 93.7 m-20 -53.73 100.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 121.27 3.804 . . . . 0.0 121.27 66.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.758 HG23 ' HB2' ' A' ' 19' ' ' LYS . 18.5 p -112.71 -174.76 2.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.794 -2.003 . . . . 0.0 108.28 156.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -91.92 9.27 33.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.209 0.528 . . . . 0.0 109.997 171.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -62.34 -31.82 72.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.706 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.9 76.21 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.89 0.376 . . . . 0.0 110.623 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.54 -45.52 65.36 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.202 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -58.42 -31.32 67.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.455 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.576 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 16.5 m95 -77.11 -52.71 8.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.871 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.5 m -65.7 -46.97 76.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.98 -174.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -55.25 -49.33 72.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.705 -175.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 p -73.45 -41.28 63.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.584 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.95 -39.83 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.637 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.96 -37.41 76.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.97 0.414 . . . . 0.0 110.553 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.1 m -81.1 -52.02 7.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.033 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.53 -50.22 11.96 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.8 m -92.07 -24.24 19.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.09 -64.48 3.53 Favored Glycine 0 CA--C 1.525 0.709 0 O-C-N 123.648 0.592 . . . . 0.0 114.105 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.98 -16.06 40.51 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.567 2.178 . . . . 0.0 113.384 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG11 HG22 ' A' ' 55' ' ' VAL . 40.5 t -91.9 -68.05 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.409 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.509 ' HA ' HD12 ' A' ' 42' ' ' LEU . 24.1 pt -113.95 5.39 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.476 -175.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.4 -63.96 4.61 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.295 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.39 1.18 8.66 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.77 2.313 . . . . 0.0 113.031 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 39' ' ' ILE . 82.1 mt -83.69 146.27 28.31 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 20.7 t -65.01 146.21 55.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.871 0.367 . . . . 0.0 110.513 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -64.95 -21.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.307 0.575 . . . . 0.0 109.605 175.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.439 HE21 ' HA ' ' A' ' 87' ' ' ARG . 1.5 tm0? -72.58 -39.69 67.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.368 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 43' ' ' SER . 27.9 m-20 -73.75 -16.09 61.19 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -174.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.467 ' HB ' ' NH2' ' A' ' 87' ' ' ARG . 62.1 t -59.0 111.15 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.113 0.482 . . . . 0.0 110.892 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 52' ' ' ILE . 10.9 t70 -122.25 165.51 16.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.357 -176.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 53' ' ' MET . 1.2 m -53.89 -42.68 68.93 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.704 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.63 -44.93 96.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.152 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 55' ' ' VAL . 84.2 mt -67.91 -42.13 81.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.334 -176.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 48' ' ' ASP . 64.0 mt -59.64 -40.51 82.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.841 0.353 . . . . 0.0 110.589 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' A' ' 49' ' ' THR . 65.6 mtt -59.53 -40.17 86.31 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.477 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.987 ' HE2' ' HA ' ' A' ' 54' ' ' LYS . 8.9 mmpt? -70.14 -37.26 75.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.556 HG22 HG11 ' A' ' 38' ' ' VAL . 48.7 t -61.38 -44.66 98.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.171 0.51 . . . . 0.0 110.425 175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.4 mt -79.1 -24.48 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.123 -175.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.562 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 5.3 t0 -48.61 -57.79 10.03 Favored Pre-proline 0 N--CA 1.47 0.564 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -173.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 69.7 Cg_endo -73.55 -14.7 24.82 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.012 1.808 . . . . 0.0 111.972 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mm -79.59 -35.01 16.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.359 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -59.66 -25.64 64.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 111.524 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.52 -30.84 33.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.515 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -100.61 -51.45 3.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.435 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -136.37 80.15 40.43 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.076 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.44 -51.64 7.01 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.822 2.348 . . . . 0.0 113.037 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.535 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 3.7 mp0 -62.27 -39.42 92.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 120.877 0.37 . . . . 0.0 110.503 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.3 m -66.67 -36.26 82.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.813 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.11 -41.7 88.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.122 0.487 . . . . 0.0 110.258 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 m -68.26 -43.17 78.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.541 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 44.0 mtp180 -66.75 -41.01 88.48 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 74' ' ' ILE . 68.0 tp -63.0 -43.7 98.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.065 177.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 ttp85 -59.16 -38.77 80.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.144 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.13 -39.67 97.46 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.036 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.576 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 66.3 mtm180 -71.36 -37.52 71.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.839 0.352 . . . . 0.0 110.263 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 70' ' ' LEU . 74.2 mt -60.62 -40.82 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.116 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.67 -44.29 81.25 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.831 176.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.21 -39.69 95.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.515 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 73' ' ' ARG . 61.0 t -67.72 -49.28 71.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.938 0.399 . . . . 0.0 110.759 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.55 -32.01 72.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.55 -47.56 85.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.246 0.546 . . . . 0.0 109.625 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -61.21 -43.91 98.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.294 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -60.39 -36.42 78.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.1 m -66.27 -44.21 84.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.61 -36.68 75.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.677 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.49 -24.95 63.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.705 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.89 26.31 13.05 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.49 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.425 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 15.3 m-85 -88.18 -6.28 57.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.272 0.558 . . . . 0.0 109.674 177.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.467 ' NH2' ' HB ' ' A' ' 47' ' ' VAL . 6.2 ptp180 -161.29 166.9 26.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.201 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.68 169.18 17.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.866 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.97 -123.56 7.88 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.707 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -125.93 170.5 11.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.441 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 58.7 t30 -101.36 91.95 2.39 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 0.0 111.193 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 37.9 Cg_endo -62.01 5.19 0.23 Allowed 'Trans proline' 0 N--CA 1.481 0.779 0 C-N-CA 124.338 3.359 . . . . 0.0 114.705 -171.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.54 -23.51 20.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -82.37 -48.23 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -174.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 67.36 144.29 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.568 0.699 . . . . 0.0 112.656 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -87.01 -30.58 21.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.661 0.743 . . . . 0.0 109.547 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.23 94.16 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.378 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.409 ' HD1' ' HG ' ' A' ' 99' ' ' LEU . 3.7 t80 -60.0 -63.2 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.765 0.316 . . . . 0.0 110.928 -174.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.409 ' HG ' ' HD1' ' A' ' 98' ' ' TYR . 91.1 mt -111.08 -53.81 2.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.117 0.484 . . . . 0.0 111.026 -178.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -152.08 151.47 31.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.745 -174.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -132.1 78.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.003 0.43 . . . . 0.0 110.923 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -79.73 85.49 5.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 62.74 -167.05 0.21 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -148.6 139.43 22.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -150.54 164.58 35.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.052 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 50.7 t60 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.358 -0.83 . . . . 0.0 110.008 176.131 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.96 0.41 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 55.9 p -96.45 169.05 10.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.158 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -61.89 -43.03 99.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.491 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.1 m -60.92 -46.82 89.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.037 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.6 mt-10 -61.12 -47.06 88.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.129 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.684 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 11.9 t -63.98 -46.6 83.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.774 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.29 77.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.391 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -59.72 -41.92 91.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.255 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 93.0 mt -61.07 -44.77 96.87 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.977 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -57.94 -47.12 83.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.383 0.611 . . . . 0.0 110.044 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -59.96 -48.84 86.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.033 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 92.9 mttt -62.15 -39.15 91.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.316 -179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.91 -25.46 65.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.949 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -123.21 20.09 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.859 0.362 . . . . 0.0 111.048 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 12' ' ' LYS . 8.8 ptm180 -75.37 -31.2 60.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.162 -173.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m -70.7 -22.62 62.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.147 0.499 . . . . 0.0 110.91 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -80.06 -24.28 40.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.84 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -94.93 47.24 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.441 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 34.2 tptt -123.1 125.35 45.01 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -175.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.547 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 47.0 t30 -114.79 90.59 3.38 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.588 8.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.8 p -134.11 162.29 32.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.908 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB3' ' HE3' ' A' ' 22' ' ' LYS . 29.1 mtpp -95.31 31.03 2.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.835 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.44 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 85.0 m-70 -64.29 -39.03 93.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.023 175.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.9 82.44 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.968 0.414 . . . . 0.0 110.55 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 9.9 t70 -62.44 -51.88 65.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.689 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 14.6 mm-40 -60.41 -38.49 84.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.924 -177.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.44 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 11.5 m95 -58.14 -51.26 70.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.39 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -69.1 -45.9 69.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.882 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 25' ' ' ASP . 8.7 t-20 -57.51 -44.28 84.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.706 -172.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 m -70.04 -50.16 44.04 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.857 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.28 -40.58 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.008 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -58.81 -37.07 75.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.425 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -81.88 -54.38 5.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.044 -175.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.01 -50.16 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.6 m -85.98 -28.79 24.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.549 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -45.5 -63.92 2.55 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.658 -0.701 . . . . 0.0 114.34 -177.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.86 -17.72 14.54 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.052 2.501 . . . . 0.0 114.388 -176.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.9 t -117.43 -76.91 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.819 -176.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.554 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.9 pt -93.0 -2.64 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -171.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.65 -63.24 5.5 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.244 -0.503 . . . . 0.0 113.214 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.577 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 4.7 Cg_exo -77.8 5.31 5.37 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.933 2.422 . . . . 0.0 112.832 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 39' ' ' ILE . 72.6 mt -83.86 145.14 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 177.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 8.9 m -59.26 139.95 56.47 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 122.769 0.428 . . . . 0.0 111.016 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.85 -15.4 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 121.698 0.761 . . . . 0.0 110.538 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -86.78 -21.79 26.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.475 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -93.88 -31.28 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.118 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.546 ' HA ' HD12 ' A' ' 51' ' ' LEU . 92.5 t -53.34 110.5 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.86 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.9 174.32 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.766 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.602 ' O ' ' HG3' ' A' ' 53' ' ' MET . 4.8 m -66.37 -37.08 84.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.381 173.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -54.54 -46.55 73.62 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.055 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 47' ' ' VAL . 76.2 mt -65.3 -40.4 93.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.785 -177.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.594 HG21 HH11 ' A' ' 71' ' ' ARG . 82.9 mt -69.51 -33.99 59.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.31 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.2 mtt -54.78 -43.76 73.12 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 110.754 177.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.75 -38.01 89.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.016 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.66 -38.66 76.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.838 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.497 HD11 ' HD3' ' A' ' 71' ' ' ARG . 74.9 mt -77.53 -23.17 50.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.179 -175.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.598 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 15.1 t70 -45.23 -57.28 7.6 Favored Pre-proline 0 N--CA 1.472 0.657 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -175.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 56.0 Cg_endo -71.04 -10.5 27.63 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.194 1.929 . . . . 0.0 112.704 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.446 HD12 HD23 ' A' ' 56' ' ' LEU . 48.1 mt -88.56 -34.92 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.742 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -59.19 -31.23 68.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -70.61 -31.85 68.99 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -93.52 -61.54 1.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.169 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -145.93 87.11 6.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.898 -169.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.26 -35.26 98.87 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.819 2.346 . . . . 0.0 112.322 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -66.08 -38.66 88.84 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.977 0.417 . . . . 0.0 110.715 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.4 m -66.6 -36.94 83.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.173 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.29 98.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.1 m -62.97 -41.17 99.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.765 176.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.31 -32.47 73.46 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 74' ' ' ILE . 48.4 tp -69.08 -44.56 72.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.733 ' CZ ' ' HA ' ' A' ' 93' ' ' ALA . 12.3 mmm180 -63.87 -36.31 83.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.454 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.08 -39.49 97.18 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.911 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -71.51 -37.86 71.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.659 0.266 . . . . 0.0 110.792 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 70' ' ' LEU . 77.5 mt -63.16 -38.52 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.376 175.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.11 -48.1 71.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.624 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.2 m -62.4 -45.05 94.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.278 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.24 -49.36 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.287 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.519 HD13 ' HD2' ' A' ' 92' ' ' PRO . 81.7 mt -66.83 -36.87 83.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.369 -176.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.04 -42.41 63.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.66 -46.06 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.078 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.684 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -60.27 -35.59 75.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.081 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.507 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 49.0 m -65.8 -46.17 79.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.279 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.03 -39.58 84.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.985 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -73.18 -25.83 60.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.508 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.07 32.72 8.19 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.376 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -93.82 2.35 56.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.209 0.528 . . . . 0.0 110.156 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -167.46 -174.55 2.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.135 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -95.26 173.19 7.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.542 0.21 . . . . 0.0 110.622 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.507 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -83.29 110.76 3.31 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.942 -0.646 . . . . 0.0 113.859 -171.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -177.17 149.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.872 0.469 . . . . 0.0 110.012 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -121.7 88.09 46.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.969 0.414 . . . . 0.0 110.693 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.519 ' HD2' HD13 ' A' ' 78' ' ' LEU . 16.2 Cg_exo -69.05 6.93 0.9 Allowed 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 123.544 2.83 . . . . 0.0 113.106 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.733 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -92.27 0.56 57.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -81.82 160.66 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.389 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.589 ' HZ2' ' HG2' ' A' ' 53' ' ' MET . 0.0 OUTLIER -159.71 118.77 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.723 0.297 . . . . 0.0 111.153 177.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -111.68 -15.76 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.048 175.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.79 98.4 0.18 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.789 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -146.94 -42.84 0.18 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.117 0.484 . . . . 0.0 110.116 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.4 mt -94.64 -51.71 4.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.691 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.824 ' HG2' ' H ' ' A' ' 101' ' ' HIS . 27.5 tt0 58.8 -163.86 0.21 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 -176.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.824 ' H ' ' HG2' ' A' ' 100' ' ' GLU . 59.1 m-70 65.25 176.02 0.21 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 122.849 0.46 . . . . 0.0 110.284 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.33 -161.51 0.26 Allowed 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.325 0.39 . . . . 0.0 110.248 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.3 t60 59.75 82.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.111 0.564 . . . . 0.0 112.019 171.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -152.89 153.1 32.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.788 0.327 . . . . 0.0 110.245 172.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -132.4 -32.82 1.31 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 C--O 1.246 0.921 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 173.159 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 tpp . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.3 p -89.34 167.92 12.66 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.468 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -64.94 -42.7 94.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.197 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.1 m -62.52 -46.19 89.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.3 mt-10 -62.59 -48.05 81.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.07 -43.89 97.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.611 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.97 88.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.717 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.84 86.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.032 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 91.1 mt -62.34 -43.27 99.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.468 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.3 -44.19 92.53 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.03 0.443 . . . . 0.0 110.472 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.467 HD13 ' OG1' ' A' ' 28' ' ' THR . 92.5 mt -63.93 -46.18 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.62 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.3 mttt -70.91 -33.87 70.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.25 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.16 73.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.896 0.379 . . . . 0.0 110.469 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -105.73 14.75 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.856 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.62 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 19.7 ptt180 -64.95 -33.05 75.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 110.142 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -67.94 -34.32 76.37 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.174 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 m -73.27 -35.2 66.14 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.25 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -98.27 32.53 2.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.95 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 60.7 tttp -114.34 114.53 26.02 Favored 'General case' 0 CA--C 1.498 -1.038 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 56.4 t30 -123.32 103.88 8.78 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.726 7.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.3 p -122.21 153.54 38.69 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.951 175.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -83.69 2.27 38.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.972 0.891 . . . . 0.0 109.121 173.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -54.83 -34.01 62.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 113.888 -1.506 . . . . 0.0 110.826 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.14 -47.0 66.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.118 0.485 . . . . 0.0 111.126 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.59 -46.2 80.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.752 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -58.85 -39.53 81.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.361 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.592 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 2.0 m95 -60.6 -49.21 78.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.614 175.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.467 ' OG1' HD13 ' A' ' 11' ' ' ILE . 12.9 m -60.31 -49.39 77.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.595 -178.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.57 -48.91 79.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.483 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -63.09 -44.21 96.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.78 0.324 . . . . 0.0 111.305 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.47 -43.7 94.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.771 -178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -64.13 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -80.29 -53.73 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.903 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -80.55 -50.15 10.38 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.7 m -82.79 -25.35 32.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.498 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.491 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -47.76 -65.82 2.25 Favored Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.73 0.644 . . . . 0.0 114.292 -175.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -62.91 -25.01 74.18 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.731 2.288 . . . . 0.0 114.211 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 t -95.36 -51.22 11.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -172.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' A' ' 42' ' ' LEU . 28.1 pt -129.31 5.48 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.79 -64.84 3.84 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 116.388 -0.369 . . . . 0.0 113.752 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 3.4 Cg_exo -76.68 5.34 4.88 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.747 2.298 . . . . 0.0 112.585 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 39' ' ' ILE . 69.1 mt -86.47 159.63 19.25 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 176.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.591 ' OG ' ' HG2' ' A' ' 45' ' ' GLN . 15.2 t -64.87 142.06 58.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.533 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.556 HG22 ' HD2' ' A' ' 87' ' ' ARG . 14.5 p -64.53 -23.22 32.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.181 0.515 . . . . 0.0 110.585 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.591 ' HG2' ' OG ' ' A' ' 43' ' ' SER . 3.7 pt20 -87.96 -17.68 30.74 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 177.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 32.8 t70 -89.75 -17.11 28.86 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.873 0.368 . . . . 0.0 111.503 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.546 ' HA ' HD12 ' A' ' 51' ' ' LEU . 97.4 t -69.67 115.23 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.637 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -113.67 173.32 6.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.881 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -60.38 -37.42 80.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 33.0 ttmt -54.5 -45.34 73.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.746 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 47' ' ' VAL . 87.4 mt -67.67 -40.86 84.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.751 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.56 HG21 HH22 ' A' ' 71' ' ' ARG . 79.1 mt -64.19 -41.61 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.592 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.24 -34.6 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.654 0.264 . . . . 0.0 110.935 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 55.9 mtpt -65.42 -38.0 88.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.682 177.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 51' ' ' LEU . 44.6 t -70.07 -46.01 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.232 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.87 -31.91 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.605 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 15.1 t70 -49.93 -57.23 13.12 Favored Pre-proline 0 N--CA 1.471 0.608 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -174.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 46.7 Cg_endo -70.0 -14.28 35.12 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.177 1.918 . . . . 0.0 113.116 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mt -77.11 -34.96 22.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.213 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -61.25 -28.52 69.23 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.122 0.487 . . . . 0.0 110.668 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.45 -39.11 91.64 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.018 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -101.7 -54.48 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.157 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -139.51 84.99 15.46 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.008 -171.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.37 -39.46 66.64 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.892 2.395 . . . . 0.0 113.225 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.65 -38.68 84.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.187 0.518 . . . . 0.0 110.057 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 m -67.76 -35.82 79.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.336 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.98 99.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.577 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 m -65.22 -42.4 93.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.617 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.47 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 95.9 mtt180 -65.39 -45.46 83.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.118 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.32 -34.85 78.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.365 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.686 ' NH2' ' HA ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -56.45 -49.31 74.97 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.523 -179.238 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.09 91.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.517 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.592 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 98.1 mtt180 -61.56 -46.54 89.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.2 mt -59.41 -40.85 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.612 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.67 -47.44 86.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.396 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.3 m -62.08 -41.87 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.198 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.31 -47.75 71.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.328 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.49 HD13 ' HG2' ' A' ' 92' ' ' PRO . 70.1 mt -64.24 -39.74 94.57 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.4 -46.29 90.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.243 0.544 . . . . 0.0 109.616 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -58.87 -51.12 71.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.749 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.27 73.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.769 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 26.9 m -67.59 -38.74 84.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.899 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.8 t -77.96 -33.62 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -71.46 -25.21 62.2 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.593 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.14 24.01 8.75 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.957 176.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -94.11 -12.06 29.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.134 0.492 . . . . 0.0 110.181 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.556 ' HD2' HG22 ' A' ' 44' ' ' VAL . 8.5 ptm180 -164.18 152.77 13.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.691 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -121.28 171.8 8.47 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.75 -146.88 16.5 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.614 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -105.03 -172.16 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.432 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 56.7 t-20 -103.16 94.7 5.84 Favored Pre-proline 0 C--N 1.322 -0.608 0 C-N-CA 123.067 0.547 . . . . 0.0 109.989 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.49 ' HG2' HD13 ' A' ' 78' ' ' LEU . 13.9 Cg_endo -54.08 -11.51 2.75 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.043 2.495 . . . . 0.0 113.543 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.686 ' HA ' ' NH2' ' A' ' 71' ' ' ARG . . . -86.83 -10.98 52.2 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.222 0.534 . . . . 0.0 110.909 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -81.16 133.51 35.47 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.52 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.527 ' C ' ' H ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -129.46 -41.39 1.37 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.864 -175.146 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 58.54 -29.95 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.215 1.006 . . . . 0.0 113.608 -170.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 95' ' ' TRP . . . -142.09 87.76 0.18 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.529 ' H ' ' HD1' ' A' ' 98' ' ' TYR . 3.1 p90 -78.16 -173.38 3.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.318 0.118 . . . . 0.0 111.318 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -42.77 -66.6 0.35 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.605 0.762 . . . . 0.0 112.803 -172.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -147.06 129.15 15.54 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -71.49 113.14 8.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.927 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -121.77 143.24 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.825 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -169.1 117.13 0.64 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.711 0.291 . . . . 0.0 110.438 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -119.78 151.57 38.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -163.67 124.75 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.7 t60 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.189 -178.271 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttm . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.823 0.344 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 45.8 p -89.19 169.59 11.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.061 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.415 ' HA ' HG23 ' A' ' 44' ' ' VAL . 81.8 t80 -62.77 -40.24 96.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.789 0.328 . . . . 0.0 110.684 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m -61.92 -45.18 94.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.019 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 54.0 mt-10 -62.94 -47.25 84.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.871 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 44.4 t -61.93 -49.02 77.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.968 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.89 -45.97 74.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.864 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.3 85.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.059 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 83.0 mt -64.54 -45.47 87.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.732 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -58.83 -45.02 90.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.176 0.512 . . . . 0.0 110.091 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.474 ' HA ' ' CH2' ' A' ' 18' ' ' TRP . 94.8 mt -59.86 -49.26 84.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.963 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 58.3 mtpt -64.2 -34.93 79.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.791 0.329 . . . . 0.0 111.359 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.47 -18.06 65.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.798 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -127.19 16.53 7.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.586 0.231 . . . . 0.0 111.201 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.495 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 17.3 mmt180 -56.16 -45.9 79.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.389 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 m -76.03 -20.05 58.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.141 0.496 . . . . 0.0 111.51 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.1 m -76.89 -40.71 46.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.057 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.519 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.6 m0 -89.74 -0.14 57.36 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.529 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.829 ' HA ' ' HB2' ' A' ' 20' ' ' ASN . 62.2 mttp 77.56 148.78 0.1 Allowed 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 -165.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.829 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 20.7 m120 71.25 11.68 6.78 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.899 2.08 . . . . 0.0 107.958 31.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.5 p -153.0 -172.14 4.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 113.293 -1.776 . . . . 0.0 107.949 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -79.48 9.45 4.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -62.4 -43.4 98.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.732 0.301 . . . . 0.0 110.464 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.79 88.7 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.278 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.63 -47.4 81.53 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.5 -36.63 78.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.048 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -64.4 -48.59 74.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.032 0.444 . . . . 0.0 110.78 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 m -69.24 -48.49 61.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.403 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -55.85 -49.29 73.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.714 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -60.98 -48.29 82.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.785 0.326 . . . . 0.0 111.274 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.15 -42.67 85.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.667 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -58.63 -39.34 80.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.205 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.5 m -82.28 -53.67 5.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.413 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -80.31 -49.58 11.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -173.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.9 m -79.66 -20.42 46.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.082 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.84 -65.22 3.34 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.74 -0.664 . . . . 0.0 114.044 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.85 -15.43 50.29 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.562 2.175 . . . . 0.0 113.325 -175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 39' ' ' ILE . 22.9 t -95.2 -65.79 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.717 0.294 . . . . 0.0 111.379 -176.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.513 HG23 HG12 ' A' ' 38' ' ' VAL . 28.8 pt -123.77 5.13 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.691 -174.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.09 -63.84 4.8 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 116.187 -0.461 . . . . 0.0 114.01 -176.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.78 5.45 6.16 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.618 2.212 . . . . 0.0 113.214 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 39' ' ' ILE . 82.6 mt -84.59 158.47 20.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 44.1 t -55.82 135.3 51.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.065 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.869 HG22 HH21 ' A' ' 87' ' ' ARG . 3.2 p -73.5 -6.66 8.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.319 0.581 . . . . 0.0 109.913 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.674 ' HG3' ' HB2' ' A' ' 87' ' ' ARG . 9.9 tt0 -93.39 -26.17 17.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.149 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 22.9 m-20 -95.44 23.68 5.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.796 -177.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.98 106.37 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 52' ' ' ILE . 46.8 m-20 -93.76 168.82 10.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.385 -177.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.437 ' O ' ' HG3' ' A' ' 53' ' ' MET . 3.7 p -60.37 -45.19 94.42 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.025 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -55.94 -43.55 77.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.81 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.53 -42.47 95.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.187 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.529 ' HB ' ' HH2' ' A' ' 95' ' ' TRP . 62.2 mt -65.3 -37.35 79.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.51 ' HG2' ' HE1' ' A' ' 98' ' ' TYR . 67.7 mtt -59.72 -35.89 75.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.756 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.05 -37.46 78.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.174 177.685 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.81 -44.13 99.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.003 0.43 . . . . 0.0 110.458 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' A' ' 59' ' ' ILE . 93.5 mt -76.33 -24.18 54.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.69 -177.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.613 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.8 t70 -46.58 -59.73 4.69 Favored Pre-proline 0 N--CA 1.471 0.588 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.537 -174.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 80.5 Cg_endo -74.57 -11.11 22.29 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.086 1.858 . . . . 0.0 112.933 -175.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 56' ' ' LEU . 32.3 mt -76.75 -29.74 18.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.765 -176.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -68.2 -14.97 63.38 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.065 0.46 . . . . 0.0 110.746 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -81.1 -27.44 35.59 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.66 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -104.35 -62.67 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.695 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -139.98 87.37 12.6 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 -173.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -50.86 -46.0 32.86 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.48 2.786 . . . . 0.0 113.779 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 48.2 mt-10 -65.45 -39.41 92.01 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.968 0.413 . . . . 0.0 110.865 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.2 m -67.93 -32.69 73.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.569 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.64 -51.59 68.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.934 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.9 p -66.04 -34.87 79.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.444 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 68.7 mtp180 -73.59 -34.45 65.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.338 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.04 -38.72 89.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -60.02 -35.97 76.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.794 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.71 -37.16 93.09 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.977 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 77' ' ' VAL . 99.4 mtt180 -64.09 -49.07 73.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.0 mt -59.93 -44.85 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.112 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.9 -48.0 79.23 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.712 0.292 . . . . 0.0 110.432 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -63.93 -42.55 97.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.233 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 73' ' ' ARG . 95.6 t -66.27 -49.11 78.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.706 HD12 ' HB2' ' A' ' 93' ' ' ALA . 21.5 mt -67.94 -40.14 83.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.228 -177.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.46 -38.41 80.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.259 0.552 . . . . 0.0 110.151 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 76.5 t90 -58.44 -51.24 70.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.435 176.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.465 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -67.46 -33.12 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -65.76 -42.69 90.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.57 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.3 t -70.16 -36.02 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.609 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 22.9 mmm-85 -67.17 -24.95 65.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.811 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.28 39.76 7.2 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.209 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -95.2 3.33 54.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.0 110.619 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.869 HH21 HG22 ' A' ' 44' ' ' VAL . 11.8 ptp85 -162.72 -174.69 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 9.5 tp10 -69.68 164.86 22.51 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.385 0.428 . . . . 0.0 109.944 172.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.83 -178.65 6.59 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 114.112 0.405 . . . . 0.0 114.112 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.2 t0 66.78 164.53 0.2 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.16 0.984 . . . . 0.0 112.005 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.474 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 44.3 t30 -134.91 90.91 20.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.655 -178.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 11.6 Cg_endo -54.74 -18.22 15.39 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.361 2.707 . . . . 0.0 113.625 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.706 ' HB2' HD12 ' A' ' 78' ' ' LEU . . . -71.41 -18.8 62.32 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.041 0.448 . . . . 0.0 110.842 177.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -91.53 130.77 37.3 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.428 0.632 . . . . 0.0 109.824 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.529 ' HH2' ' HB ' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -125.27 -42.1 2.01 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.807 -175.411 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 58.63 -60.61 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.979 0.8 . . . . 0.0 111.239 -165.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.77 51.98 1.05 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.494 -0.384 . . . . 0.0 112.305 177.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.51 ' HE1' ' HG2' ' A' ' 53' ' ' MET . 59.8 t80 -72.03 -54.8 8.78 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.8 mt -87.14 -76.89 0.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.16 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.48 -58.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.782 174.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -119.67 -179.4 3.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.306 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -129.3 -55.64 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 36.4 m170 65.04 36.23 7.54 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.463 0.477 . . . . 0.0 110.497 -172.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.07 116.47 13.64 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.842 0.353 . . . . 0.0 110.333 -178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.18 98.14 0.06 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.301 -177.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 . . . . . 0 C--O 1.244 0.802 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.407 178.264 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 tpp . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.748 0.308 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.4 p -93.66 169.24 10.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -67.14 -40.24 86.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -58.34 -47.54 83.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.393 . . . . 0.0 110.996 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.1 mt-10 -63.4 -49.25 74.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.961 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 9.7 t -64.09 -45.15 89.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.887 -175.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.02 92.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.538 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.21 95.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.763 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 95.1 mt -60.82 -43.46 98.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.82 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -59.5 -49.46 77.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.995 0.426 . . . . 0.0 110.761 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.7 mt -66.36 -48.4 81.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.436 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.0 mtpt -66.87 -33.84 76.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.548 -176.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.26 4.18 15.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 0.0 111.26 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -132.09 4.02 4.07 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.405 -0.185 . . . . 0.0 111.182 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 23.1 ptt180 -67.76 -27.57 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.474 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -70.98 -25.9 62.91 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.27 0.557 . . . . 0.0 110.387 176.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 m -84.27 -16.19 44.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -104.81 44.06 1.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.745 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HD3' HG23 ' A' ' 21' ' ' THR 0.324 44.9 mtpt 75.1 -154.93 0.04 OUTLIER 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 117.453 -1.261 . . . . 0.0 110.779 174.086 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.489 ' C ' ' HB3' ' A' ' 19' ' ' LYS . 94.9 m-20 -49.2 92.6 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 121.117 3.747 . . . . 0.0 121.117 70.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.573 HG23 ' HD3' ' A' ' 19' ' ' LYS . 1.1 p -142.16 161.2 38.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 112.855 -1.975 . . . . 0.0 108.982 155.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -73.51 0.5 12.3 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -174.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -54.31 -46.99 72.93 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.41 91.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.346 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.52 -44.11 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.54 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.86 -41.12 90.79 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.446 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -55.36 -48.72 73.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.006 0.432 . . . . 0.0 110.139 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -62.3 -50.83 70.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.113 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -54.44 -47.92 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.38 -173.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m -65.62 -50.22 65.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.787 0.327 . . . . 0.0 111.338 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.24 -42.86 88.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.116 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 12.5 tmtt? -58.96 -34.05 71.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.242 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.6 m -81.05 -52.39 7.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.879 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -78.8 -49.23 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -173.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.4 m -104.45 -10.33 17.77 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.703 -172.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.36 -65.53 3.34 Favored Glycine 0 CA--C 1.521 0.422 0 O-C-N 123.513 0.508 . . . . 0.0 113.597 -177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.31 -14.27 43.01 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.64 2.227 . . . . 0.0 113.001 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.622 HG11 HG22 ' A' ' 55' ' ' VAL . 33.0 t -91.8 -67.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.653 0.263 . . . . 0.0 111.268 -175.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.432 HG23 HG12 ' A' ' 38' ' ' VAL . 31.6 pt -114.45 3.12 7.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -173.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.55 -64.2 4.53 Favored Glycine 0 CA--C 1.524 0.602 0 CA-C-N 116.272 -0.422 . . . . 0.0 113.532 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.29 2.14 4.11 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.073 2.515 . . . . 0.0 113.243 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 39' ' ' ILE . 87.7 mt -86.17 161.16 18.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.8 m -66.94 131.99 47.02 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.516 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.647 HG22 ' HD2' ' A' ' 87' ' ' ARG . 14.4 p -64.73 -24.68 36.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.33 0.585 . . . . 0.0 111.092 -176.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.488 ' HA ' ' HB2' ' A' ' 87' ' ' ARG . 4.5 pt20 -78.19 -19.47 53.84 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.82 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.86 -5.71 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.157 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.32 111.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.056 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -126.79 168.66 14.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.174 -176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -34.17 64.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.868 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -58.37 -45.88 87.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.248 0.547 . . . . 0.0 110.927 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 55' ' ' VAL . 91.8 mt -71.46 -38.93 71.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.223 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.556 HG23 HH11 ' A' ' 71' ' ' ARG . 83.9 mt -63.75 -41.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.631 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.9 mtt -63.61 -43.94 95.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.804 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -38.3 83.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.813 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.622 HG22 HG11 ' A' ' 38' ' ' VAL . 57.8 t -67.44 -44.58 86.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.919 0.39 . . . . 0.0 110.881 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.864 HD11 ' HD2' ' A' ' 71' ' ' ARG . 72.2 mt -79.32 -23.84 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.489 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.618 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.8 t70 -42.09 -57.61 4.13 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -173.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 89.3 Cg_endo -76.18 -13.27 19.08 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.937 1.758 . . . . 0.0 113.074 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.9 mt -84.75 -36.01 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.856 -0.156 . . . . 0.0 111.226 -173.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.414 ' CZ2' HD13 ' A' ' 56' ' ' LEU . 78.1 m95 -57.54 -29.65 64.55 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.816 0.341 . . . . 0.0 111.068 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.55 -59.69 4.31 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.403 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -80.64 -55.49 4.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.607 -173.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.497 ' HE2' ' OG1' ' A' ' 66' ' ' THR . 50.7 mtpt -135.02 79.73 50.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.909 0.385 . . . . 0.0 110.76 -174.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.6 -47.15 7.79 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.82 2.347 . . . . 0.0 112.906 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -64.88 -32.05 73.57 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 120.809 0.338 . . . . 0.0 111.366 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.497 ' OG1' ' HE2' ' A' ' 63' ' ' LYS . 7.9 m -70.32 -32.74 70.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.928 0.394 . . . . 0.0 110.404 177.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.718 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -62.64 -39.79 94.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.181 175.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.0 m -63.53 -39.44 94.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.459 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.61 -40.02 90.33 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.822 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.7 tp -72.71 -37.09 67.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.86 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.864 ' HD2' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -67.48 -38.99 85.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.201 -175.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.65 -34.03 84.69 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.59 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.407 ' O ' HG23 ' A' ' 77' ' ' VAL . 98.6 mtt180 -66.19 -49.53 66.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.401 . . . . 0.0 110.222 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.847 HD12 HH21 ' A' ' 71' ' ' ARG . 28.8 mt -65.19 -36.64 78.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.124 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -52.45 -47.48 66.41 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.06 0.457 . . . . 0.0 110.419 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -64.27 -37.54 87.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.074 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 73' ' ' ARG . 58.6 t -65.84 -48.8 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.708 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.72 -36.87 84.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.093 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.36 -47.43 70.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.569 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -58.88 -45.19 90.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.774 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.431 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -61.14 -34.43 74.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.405 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 27.3 m -64.98 -42.85 94.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.969 0.414 . . . . 0.0 110.512 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.02 -40.44 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.487 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -71.92 -25.7 62.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.923 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.89 4.46 54.38 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.845 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -71.66 -26.05 62.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.108 0.48 . . . . 0.0 110.383 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.647 ' HD2' HG22 ' A' ' 44' ' ' VAL . 7.2 ptm180 -147.82 150.78 34.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.01 160.71 33.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.975 0.417 . . . . 0.0 110.698 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.11 -120.78 3.0 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -175.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -138.68 -165.21 1.78 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 175.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.39 87.64 17.16 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-O 120.632 0.253 . . . . 0.0 110.402 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.34 -6.39 16.24 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.991 2.46 . . . . 0.0 113.088 -176.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.52 2.32 55.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.453 . . . . 0.0 110.592 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -87.93 -46.57 9.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.273 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 63.75 179.93 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.765 0.793 . . . . 0.0 112.608 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -125.57 27.51 6.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.017 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.07 -53.96 0.8 Allowed Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.652 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.545 ' CD2' ' HG ' ' A' ' 99' ' ' LEU . 60.5 t80 65.02 -79.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.562 0.745 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 98' ' ' TYR . 85.6 mt -84.2 -56.88 3.42 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 55.36 38.36 30.21 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.768 0.794 . . . . 0.0 110.099 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -74.41 97.35 3.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.399 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -104.78 108.09 19.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.445 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -139.8 129.86 24.99 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.947 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -109.63 124.31 50.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.103 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -67.29 153.31 43.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.443 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.081 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.535 ' O ' ' HA ' ' A' ' 43' ' ' SER . 47.7 tpp . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 68.6 p -87.54 162.17 17.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -65.54 -37.9 88.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 m -60.83 -46.06 92.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.582 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 29.1 mt-10 -62.44 -49.07 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.163 0.506 . . . . 0.0 111.243 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.406 ' HA ' HD12 ' A' ' 9' ' ' LEU . 7.2 t -64.56 -42.24 95.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.992 -176.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.85 -42.77 99.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.668 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.41 81.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 95.3 mt -60.54 -49.39 77.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.654 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -57.67 -49.89 74.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.747 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.57 -49.32 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.458 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 37.2 ttpt -63.45 -34.7 78.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.707 0.289 . . . . 0.0 111.165 -176.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.61 -14.87 62.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.444 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -116.57 -2.01 12.06 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 32.6 ptt180 -69.98 -27.84 65.04 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.155 -173.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.8 m -67.81 -23.52 65.19 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.874 0.368 . . . . 0.0 111.219 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 t -81.6 -14.91 56.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.054 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -114.2 48.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.876 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.903 ' HB2' HG23 ' A' ' 21' ' ' THR 0.326 64.5 mttm 75.43 -152.03 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 116.858 -1.544 . . . . 0.0 110.03 -177.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.562 ' C ' ' HB3' ' A' ' 19' ' ' LYS . 17.3 t-20 -52.41 94.77 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 120.688 3.588 . . . . 0.0 120.688 67.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.903 HG23 ' HB2' ' A' ' 19' ' ' LYS . 31.5 p -108.91 -176.73 3.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 113.791 -1.549 . . . . 0.0 108.539 158.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HB3' ' HE3' ' A' ' 22' ' ' LYS . 25.6 mtpp -92.62 6.11 48.52 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.713 170.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -66.6 -52.53 44.27 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.95 77.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.399 0.618 . . . . 0.0 110.072 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.32 -51.12 65.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.364 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -62.61 -38.46 90.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.775 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -55.04 -47.96 74.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.212 0.53 . . . . 0.0 110.1 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m -67.59 -50.49 58.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.955 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -55.26 -46.72 76.09 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.592 0.357 . . . . 0.0 111.503 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.1 m -63.55 -52.05 62.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.354 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.02 -41.83 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.092 0.472 . . . . 0.0 110.635 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.16 -36.11 74.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.719 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.5 m -79.84 -52.49 7.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.955 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -78.75 -45.63 20.68 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.5 m -95.41 -13.04 24.99 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.68 -172.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.41 -63.31 5.19 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-N 115.886 -0.597 . . . . 0.0 113.705 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -57.75 -26.22 72.26 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.981 2.454 . . . . 0.0 113.744 -176.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.0 t -95.41 -72.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 42' ' ' LEU . 25.4 pt -105.53 6.04 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 111.579 0.215 . . . . 0.0 111.579 -172.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -57.05 -64.91 3.97 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 116.091 -0.504 . . . . 0.0 113.596 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.05 0.28 10.01 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.489 2.126 . . . . 0.0 112.992 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 39' ' ' ILE . 79.3 mt -84.14 159.85 20.99 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 45.9 t -65.82 141.34 58.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.812 0.339 . . . . 0.0 110.416 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.614 HG22 ' HD2' ' A' ' 87' ' ' ARG . 10.3 p -65.18 -19.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.273 0.558 . . . . 0.0 110.118 176.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -84.48 -28.56 26.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.98 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.538 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 13.9 t70 -77.97 -22.54 49.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.037 -176.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 43' ' ' SER . 61.5 t -58.08 104.7 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 121.145 0.497 . . . . 0.0 110.748 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -106.95 166.59 10.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.699 -177.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 53' ' ' MET . 27.2 m -58.29 -36.9 74.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.227 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -62.06 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.134 0.492 . . . . 0.0 110.099 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 55' ' ' VAL . 91.5 mt -67.87 -38.59 83.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.16 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.501 HG23 HH11 ' A' ' 71' ' ' ARG . 59.1 mt -57.86 -40.01 74.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.086 177.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.5 mtt -63.28 -43.62 97.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -60.38 -38.15 83.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.112 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 51' ' ' LEU . 53.7 t -67.74 -41.05 84.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.362 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.831 HD11 ' HD2' ' A' ' 71' ' ' ARG . 35.6 mt -74.97 -24.38 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.577 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.0 t70 -48.94 -55.12 22.02 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -174.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 71.1 Cg_endo -75.48 -20.69 15.7 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.004 1.803 . . . . 0.0 112.836 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.557 HG22 ' HB2' ' A' ' 67' ' ' ALA . 48.1 mt -78.03 -39.5 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.286 -174.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.419 ' NE1' ' HB3' ' A' ' 56' ' ' LEU . 81.5 m95 -60.48 -28.47 68.37 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.042 0.448 . . . . 0.0 111.239 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.27 -26.94 47.33 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.16 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -95.03 -61.89 1.41 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.578 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -131.75 85.58 51.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.729 -172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.06 -49.59 12.3 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.714 2.276 . . . . 0.0 113.206 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -63.76 -39.21 93.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.242 0.544 . . . . 0.0 110.099 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.8 m -71.09 -32.91 69.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.724 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.557 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -60.15 -43.01 96.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.42 . . . . 0.0 110.348 175.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.9 t -63.99 -47.37 80.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.13 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 73' ' ' ARG . 77.7 mtt-85 -64.15 -44.74 91.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.39 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.53 -41.88 91.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.831 ' HD2' HD11 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -67.73 -40.14 84.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.398 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.65 -39.47 97.58 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.294 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 98.0 mtt180 -64.23 -40.35 95.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.987 0.423 . . . . 0.0 110.186 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.744 HD12 HH21 ' A' ' 71' ' ' ARG . 36.4 mt -67.73 -37.72 79.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.092 177.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -54.01 -44.6 71.07 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.7 t -61.41 -44.44 97.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.2 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 73' ' ' ARG . 92.4 t -61.62 -47.07 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 178.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.472 HD13 ' HD2' ' A' ' 92' ' ' PRO . 90.8 mt -62.98 -38.96 93.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.725 179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.52 -48.56 79.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.192 0.52 . . . . 0.0 110.179 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -62.88 -44.9 94.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.605 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.14 88.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.668 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -69.02 -39.32 79.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.005 0.431 . . . . 0.0 110.507 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.12 -42.19 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.49 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -67.79 -26.04 65.89 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 176.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.61 19.22 38.49 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.79 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -82.88 -17.05 45.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.513 0.673 . . . . 0.0 109.41 176.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.614 ' HD2' HG22 ' A' ' 44' ' ' VAL . 8.1 ptm180 -147.86 153.02 38.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.789 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -127.9 160.79 30.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.719 0.295 . . . . 0.0 110.642 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.36 -121.55 4.72 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.804 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.635 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 7.6 t70 -141.25 -164.08 1.69 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.403 ' H ' ' CG ' ' A' ' 90' ' ' ASP . 5.0 m120 -106.37 88.06 3.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 123.002 0.521 . . . . 0.0 110.798 -177.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.635 ' HD3' ' O ' ' A' ' 90' ' ' ASP . 19.2 Cg_exo -65.81 -13.17 38.55 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.089 2.526 . . . . 0.0 113.149 -174.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.44 7.04 44.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.381 . . . . 0.0 110.923 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -100.61 -51.39 3.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.394 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.425 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 3.3 m-90 69.17 154.63 0.12 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 122.0 0.905 . . . . 0.0 112.92 176.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -105.38 -23.51 12.83 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.865 170.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -173.24 91.59 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.609 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 17.2 t80 -96.04 -70.03 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.727 0.298 . . . . 0.0 110.667 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.7 mt -90.74 -48.78 6.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.951 0.405 . . . . 0.0 110.648 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -142.87 158.84 43.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.201 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -92.11 108.76 20.18 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -68.01 -44.3 76.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 68.16 131.17 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.878 0.736 . . . . 0.0 110.658 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -71.82 119.65 16.29 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.211 0.529 . . . . 0.0 110.716 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -164.16 -62.99 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.469 -0.787 . . . . 0.0 108.932 176.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.141 170.432 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 tpp . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 63.3 p -94.2 160.0 14.88 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.205 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -66.41 -41.04 89.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.686 0.279 . . . . 0.0 110.288 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -59.32 -41.77 89.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.673 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 33.8 mt-10 -69.35 -46.19 67.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.065 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 14.8 t -63.95 -47.64 79.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.97 -178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.2 85.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.469 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.84 97.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.667 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 94.9 mt -60.56 -42.34 96.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.764 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -59.99 -49.1 78.98 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.106 0.479 . . . . 0.0 110.537 178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.426 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 89.9 mt -66.35 -48.2 81.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.335 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.501 ' HA ' ' CG ' ' A' ' 15' ' ' ARG . 62.0 mtpt -63.19 -34.6 77.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.475 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.41 -27.08 66.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.172 0.511 . . . . 0.0 110.837 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -100.02 2.21 43.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.486 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 12' ' ' LYS . 10.0 mmm180 -61.34 -33.62 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.221 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 m -68.42 -32.58 72.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.826 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -80.56 -32.96 36.49 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.924 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m0 -95.24 46.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.079 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 87.3 tttt -117.59 120.14 37.14 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 25.8 p30 -115.31 24.7 11.42 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.621 6.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.6 p -62.18 126.5 27.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.946 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -89.61 20.03 4.25 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -170.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -61.42 -26.23 67.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 168.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -36.0 66.14 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.129 0.49 . . . . 0.0 110.888 172.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.04 -44.17 69.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.118 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -58.67 -42.49 88.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.675 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -54.67 -51.45 65.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 175.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.6 m -63.14 -48.77 77.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.043 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -63.61 -44.81 92.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -175.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -62.76 -48.63 78.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.657 0.265 . . . . 0.0 111.338 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.56 -41.21 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.727 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 2.5 tmtp? -62.56 -33.52 75.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.993 0.425 . . . . 0.0 110.195 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.7 m -78.66 -52.4 8.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.806 0.336 . . . . 0.0 111.235 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -79.28 -49.39 12.54 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.5 m -96.57 -9.87 28.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.471 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.426 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -55.04 -70.34 0.99 Allowed Glycine 0 CA--C 1.52 0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 113.951 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.86 -12.74 36.6 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.724 2.283 . . . . 0.0 112.883 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 39' ' ' ILE . 38.5 t -89.55 -70.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.983 -176.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.522 HG23 HG12 ' A' ' 38' ' ' VAL . 29.4 pt -116.07 2.2 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.04 -64.25 4.53 Favored Glycine 0 CA--C 1.521 0.454 0 O-C-N 123.305 0.378 . . . . 0.0 113.459 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 5.9 Cg_exo -78.71 5.25 5.74 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.73 2.287 . . . . 0.0 112.931 -178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 39' ' ' ILE . 78.5 mt -87.64 154.59 20.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.7 OUTLIER -60.13 143.54 52.03 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 177.422 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.8 p -66.14 -22.17 29.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.167 0.508 . . . . 0.0 110.105 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -84.0 -19.72 34.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.071 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.75 -26.02 37.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.992 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.86 110.57 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.232 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -122.04 -175.19 3.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.586 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.8 m -62.26 -39.55 93.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.687 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -45.08 90.49 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.724 0.297 . . . . 0.0 110.37 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 55' ' ' VAL . 82.0 mt -63.36 -41.36 98.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.795 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.24 -40.94 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.555 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 64.1 mtt -60.94 -39.36 89.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.75 0.31 . . . . 0.0 110.821 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.993 ' HE2' ' HA ' ' A' ' 54' ' ' LYS . 7.8 mmpt? -68.97 -37.64 78.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.333 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 51' ' ' LEU . 84.8 t -58.1 -40.99 79.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.956 0.408 . . . . 0.0 110.63 176.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.557 HD11 HH11 ' A' ' 71' ' ' ARG . 35.0 mt -79.47 -24.42 42.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.084 -177.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.655 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 9.4 t70 -45.16 -59.19 4.58 Favored Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -172.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 90.1 Cg_endo -75.41 -21.88 14.67 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.043 1.829 . . . . 0.0 113.068 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.5 mm -70.22 -29.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.54 -171.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -63.12 -29.08 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.638 0.256 . . . . 0.0 111.561 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -80.6 -22.78 40.33 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.976 0.417 . . . . 0.0 111.402 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -100.14 -59.99 1.61 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.867 -178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -143.13 85.47 9.71 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.805 -174.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -61.04 -36.77 80.62 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.549 2.166 . . . . 0.0 112.172 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -64.08 -44.56 92.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.703 179.391 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 m -71.19 -32.32 68.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.764 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.25 -39.43 82.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.097 0.475 . . . . 0.0 110.332 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.2 m -68.32 -36.66 79.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.63 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 64.3 mtp180 -68.93 -45.5 70.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.774 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.97 -34.32 75.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.25 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.557 HH11 HD11 ' A' ' 56' ' ' LEU . 2.4 tpm_? -55.64 -48.66 74.6 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.421 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.67 74.56 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.683 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' O ' HG23 ' A' ' 77' ' ' VAL . 97.1 mtt180 -64.47 -45.27 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.611 0.243 . . . . 0.0 110.749 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.01 -38.85 82.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.66 0.267 . . . . 0.0 110.667 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -56.0 -45.54 79.0 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 175.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.9 m -60.55 -41.99 95.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.006 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 73' ' ' ARG . 61.3 t -68.87 -47.25 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.799 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.42 -38.8 92.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.423 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.76 -40.89 92.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.0 0.428 . . . . 0.0 110.104 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -60.4 -44.77 95.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.889 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -63.57 -30.75 71.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.938 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' HA2' ' A' ' 89' ' ' GLY . 57.9 m -69.27 -34.98 75.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.67 -41.87 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.132 0.491 . . . . 0.0 110.255 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -69.86 -23.48 63.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.369 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.61 31.43 13.17 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.831 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -88.58 -24.73 22.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.111 0.481 . . . . 0.0 110.216 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -140.96 174.22 10.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.309 172.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -72.42 172.78 9.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.741 0.305 . . . . 0.0 111.38 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.671 ' HA2' HG23 ' A' ' 82' ' ' THR . . . -73.84 22.17 1.2 Allowed Glycine 0 C--N 1.332 0.353 0 CA-C-N 115.822 -0.626 . . . . 0.0 113.844 -175.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -111.14 124.47 52.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.803 0.335 . . . . 0.0 110.218 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 57.1 t-20 -116.13 88.97 23.96 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.117 177.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.52 -8.75 15.83 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.049 2.499 . . . . 0.0 113.424 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.53 -10.23 56.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 91' ' ' ASN . 5.4 ppt_? -82.5 -29.55 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.149 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.526 ' NE1' ' HB3' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 66.31 153.73 0.08 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.911 0.757 . . . . 0.0 113.0 173.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -85.27 -32.14 22.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.764 171.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 145.6 64.88 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.707 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.526 ' HB3' ' NE1' ' A' ' 95' ' ' TRP . 13.6 t80 -125.46 148.16 48.94 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.7 mt 69.64 -38.49 0.41 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.853 0.861 . . . . 0.0 112.016 -174.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.27 132.07 37.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -72.12 143.19 49.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -87.75 -43.19 12.07 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -137.64 -76.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.601 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -114.45 -88.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.146 -0.222 . . . . 0.0 110.466 -172.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -93.7 -19.31 21.21 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 C--O 1.244 0.793 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.591 173.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 tpp . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.5 p -96.48 163.34 13.08 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.056 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.59 -41.44 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.713 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.5 m -62.86 -43.42 98.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.032 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -64.66 -47.71 77.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.965 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.9 t -61.88 -46.16 90.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.537 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.83 84.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.881 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.95 93.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.82 -46.32 91.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.358 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -58.02 -48.43 80.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.449 HG23 ' HZ3' ' A' ' 18' ' ' TRP . 98.5 mt -62.0 -49.91 82.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.26 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -70.43 -34.07 72.05 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.39 0.9 27.34 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -135.59 10.4 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 122.2 -0.313 . . . . 0.0 110.948 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -69.85 -16.65 63.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 0.0 110.919 -176.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -34.78 72.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.662 176.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 t -76.58 -18.99 58.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.14 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.449 ' HZ3' HG23 ' A' ' 11' ' ' ILE . 12.2 m0 -106.15 30.13 6.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.29 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 28.6 tptp -117.43 118.73 33.0 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.526 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 49.1 t30 -114.99 92.52 3.96 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 123.249 0.619 . . . . 0.0 110.82 9.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p -129.73 161.35 30.88 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.375 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 19.6 mmmt -77.42 1.78 18.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.453 177.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -59.41 -44.23 92.89 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.339 -176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.14 81.26 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.232 0.539 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -71.5 -45.49 62.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.148 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 13.3 mm-40 -62.97 -37.48 87.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.616 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -54.6 -51.37 65.53 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.2 m -60.84 -51.22 70.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.958 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -55.95 -46.02 78.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.814 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -64.17 -54.36 34.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.47 -40.23 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.706 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -59.53 -35.63 74.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.697 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -81.68 -53.07 6.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.162 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -80.29 -49.54 11.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -174.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -90.43 -19.12 24.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.568 0.223 . . . . 0.0 111.462 -173.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.91 -64.69 4.02 Favored Glycine 0 CA--C 1.523 0.58 0 CA-C-N 115.821 -0.627 . . . . 0.0 114.366 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -63.98 -19.86 67.1 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.538 2.159 . . . . 0.0 113.564 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.9 t -95.33 -72.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.519 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.7 pt -105.76 1.16 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.273 -173.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.86 -63.17 5.49 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.52 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -76.03 5.35 4.55 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.792 2.328 . . . . 0.0 113.254 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 39' ' ' ILE . 86.6 mt -89.05 153.58 20.88 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 178.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.55 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 15.7 m -62.3 141.75 58.11 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.128 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.82 -26.29 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 111.291 -176.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -80.78 -21.45 40.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.009 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 43' ' ' SER . 0.7 OUTLIER -86.91 4.3 42.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.626 -177.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.5 105.01 4.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -101.05 170.23 8.41 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.543 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 53' ' ' MET . 0.0 OUTLIER -65.94 -35.5 80.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.8 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 9.1 tmtt? -61.24 -42.09 98.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.927 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.27 -38.44 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.694 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.832 HD13 HH12 ' A' ' 71' ' ' ARG . 91.5 mt -62.05 -38.66 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.784 177.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.7 mtt -60.42 -39.07 86.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.595 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -60.54 -37.73 82.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.5 t -72.9 -45.44 55.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.254 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.28 -35.59 63.76 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -172.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.58 ' HA ' ' HD1' ' A' ' 60' ' ' TRP . 18.8 t70 -48.4 -56.62 13.59 Favored Pre-proline 0 N--CA 1.473 0.723 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -173.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 28.3 Cg_endo -65.79 -21.2 58.4 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.238 1.959 . . . . 0.0 113.007 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.0 mt -79.24 -28.11 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.312 . . . . 0.0 110.696 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.58 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 87.4 m95 -59.74 -30.39 68.8 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.147 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -73.27 -20.11 60.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.961 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -110.29 -56.26 2.36 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.498 -177.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -138.72 85.49 16.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.863 -174.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.69 -46.05 22.27 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.759 2.306 . . . . 0.0 112.546 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 57.4 mm-40 -61.91 -42.85 99.57 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 121.128 0.49 . . . . 0.0 110.703 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -71.15 -33.66 70.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.839 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.37 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 0.0 110.249 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -68.24 -37.75 81.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.798 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 70.1 mtp180 -74.24 -39.77 62.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.569 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.417 HD12 ' HD2' ' A' ' 73' ' ' ARG . 67.0 tp -64.16 -34.23 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.396 0.617 . . . . 0.0 109.841 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.832 HH12 HD13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -54.84 -38.92 68.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.976 175.291 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.69 -30.42 77.89 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.598 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' HD2' HD12 ' A' ' 70' ' ' LEU . 91.1 mtt180 -67.76 -34.51 76.96 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.65 -42.95 96.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.852 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -56.68 -44.65 81.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.414 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.1 m -58.95 -42.19 89.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.881 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.9 t -72.22 -48.67 47.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.452 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.496 ' HB2' HD21 ' A' ' 91' ' ' ASN . 60.8 mt -63.78 -44.65 92.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.01 -37.72 83.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.233 0.539 . . . . 0.0 110.206 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -65.43 -39.53 92.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.852 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -64.28 -34.05 77.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.096 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 88' ' ' GLU . 81.8 m -60.24 -44.83 94.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.925 0.393 . . . . 0.0 110.401 175.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.25 -38.42 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -66.68 -23.27 66.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.369 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.66 22.82 17.44 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.458 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.411 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 21.9 m-85 -87.73 -21.8 24.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.353 0.597 . . . . 0.0 109.765 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.499 ' O ' ' HA ' ' A' ' 82' ' ' THR . 7.3 ptp180 -161.92 175.19 12.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.247 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.764 ' HA ' HG23 ' A' ' 82' ' ' THR . 12.1 pt-20 -164.81 -178.21 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.82 94.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 O-C-N 123.505 0.503 . . . . 0.0 112.951 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.451 ' CG ' ' H ' ' A' ' 91' ' ' ASN . 30.4 t70 56.52 -164.6 0.15 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 122.916 0.486 . . . . 0.0 110.104 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.716 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 56.3 t30 -158.61 140.48 9.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 121.804 -0.56 . . . . 0.0 109.567 177.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.716 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 39.7 Cg_endo -69.23 5.68 1.4 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.806 2.337 . . . . 0.0 112.944 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.687 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -89.89 -0.36 57.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.975 0.417 . . . . 0.0 110.567 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -83.53 149.16 26.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.179 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.44 106.12 5.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.876 175.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 96' ' ' ARG . 10.3 mtt180 -76.91 -21.51 54.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.064 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.5 -113.96 2.29 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.506 -0.637 . . . . 0.0 111.506 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -141.4 -48.07 0.39 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.699 0.285 . . . . 0.0 110.325 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.5 mt -139.97 -74.26 0.36 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.18 159.95 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.801 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -87.31 70.08 10.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.138 0.494 . . . . 0.0 109.891 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -75.98 121.8 23.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.513 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -123.68 146.47 48.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.901 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -171.62 131.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.718 0.294 . . . . 0.0 110.602 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -127.01 179.55 5.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.281 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.619 179.619 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.4 ttm . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.117 0.484 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 40.9 p -82.94 176.29 9.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.606 172.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -63.75 -38.76 92.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -59.27 -45.95 89.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.763 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.5 mt-10 -62.56 -45.61 92.13 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.7 t -65.34 -47.73 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.672 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.3 83.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.034 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.84 99.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.73 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 88.5 mt -61.42 -42.15 98.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -56.9 -47.57 80.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.657 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.404 HG23 ' HZ3' ' A' ' 18' ' ' TRP . 90.5 mt -71.68 -50.68 37.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.523 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 99.6 mttt -71.86 -35.57 69.87 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -173.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.11 -10.24 59.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.883 0.373 . . . . 0.0 111.236 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.575 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 48.4 m80 -115.13 -3.19 12.59 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.463 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 11.3 ptm180 -58.74 -18.33 30.68 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -171.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.457 ' O ' ' HE3' ' A' ' 19' ' ' LYS . 3.1 m -64.42 -53.8 42.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.007 0.432 . . . . 0.0 110.753 176.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -75.08 -23.09 57.97 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.222 1.01 . . . . 0.0 108.579 174.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.575 ' HB2' ' O ' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -93.76 49.09 1.32 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.218 -176.206 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.874 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 31.4 mmtp -47.78 101.47 0.03 OUTLIER 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 165.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.874 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 63.4 t30 87.57 17.34 0.08 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 127.199 2.2 . . . . 0.0 106.662 51.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.5 p -87.32 -164.29 1.06 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 112.892 -1.958 . . . . 0.0 107.505 157.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 34.5 mtpt -73.54 -4.68 35.4 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.084 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 1.3 p80 -67.54 -29.93 69.45 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.948 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.29 -38.11 78.17 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.216 0.532 . . . . 0.0 109.969 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -61.69 -46.23 90.59 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.133 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 16.3 mm-40 -58.43 -30.16 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.818 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.431 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 17.9 m95 -74.51 -51.15 15.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 m -66.33 -46.94 75.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.26 -176.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -66.52 -47.93 71.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.124 -171.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 p -62.34 -53.0 61.36 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.645 0.26 . . . . 0.0 111.474 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.71 -44.97 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -59.43 -34.81 72.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.017 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.8 m -81.69 -51.39 8.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.737 -175.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -77.85 -49.3 14.54 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.4 m -103.51 -19.26 14.45 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.54 -64.19 3.31 Favored Glycine 0 CA--C 1.519 0.326 0 O-C-N 123.81 0.694 . . . . 0.0 113.983 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.5 -24.07 51.15 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.718 2.278 . . . . 0.0 113.549 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.494 HG11 HG22 ' A' ' 55' ' ' VAL . 19.1 t -95.28 -73.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.1 pt -95.06 -3.03 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -173.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.492 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -55.5 -63.09 5.6 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.159 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.39 2.72 4.17 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.55 2.167 . . . . 0.0 113.169 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.612 HD13 HD13 ' A' ' 51' ' ' LEU . 78.6 mt -84.55 152.28 24.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 177.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 47' ' ' VAL . 39.2 t -68.69 147.5 51.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.54 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.51 -22.93 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 109.977 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -82.11 -24.68 35.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.436 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -86.76 -27.19 23.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.561 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 43' ' ' SER . 87.5 t -55.22 115.41 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.298 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -127.14 167.71 15.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.89 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 53' ' ' MET . 24.0 m -59.42 -36.43 75.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.515 -176.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -61.83 -42.54 99.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 111.142 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.612 HD13 HD13 ' A' ' 42' ' ' LEU . 61.0 mt -66.9 -38.18 85.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.657 0.741 . . . . 0.0 109.732 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.601 HG23 ' NE ' ' A' ' 71' ' ' ARG . 18.9 mt -62.26 -35.32 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.54 178.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.8 mtt -66.65 -41.54 88.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.879 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -56.59 -38.88 72.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.424 -178.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.546 ' HB ' HH22 ' A' ' 71' ' ' ARG . 21.4 t -70.38 -38.93 75.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD22 ' HB1' ' A' ' 67' ' ' ALA . 51.1 mt -78.89 -23.11 45.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.946 -174.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.598 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 9.0 t70 -45.54 -55.65 11.66 Favored Pre-proline 0 N--CA 1.47 0.562 0 O-C-N 123.55 0.531 . . . . 0.0 112.337 -176.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 72.8 Cg_endo -76.76 -13.51 17.83 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 121.946 1.764 . . . . 0.0 112.876 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.524 HD12 HD23 ' A' ' 56' ' ' LEU . 51.7 mt -82.78 -39.8 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 122.391 -0.193 . . . . 0.0 111.156 -177.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -57.92 -27.86 63.74 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.009 0.433 . . . . 0.0 111.114 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -69.26 -28.28 66.17 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.431 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -111.78 -52.99 2.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.274 -172.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -130.78 83.87 60.25 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.44 -53.19 4.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.059 2.506 . . . . 0.0 112.966 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.65 -40.18 91.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 110.742 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.2 m -67.85 -35.41 78.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.222 -175.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.588 ' HB1' HD22 ' A' ' 56' ' ' LEU . . . -58.05 -46.94 84.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.919 0.39 . . . . 0.0 110.926 178.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.6 t -71.26 -45.15 63.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.908 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -64.11 -32.8 74.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.831 0.348 . . . . 0.0 111.379 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.6 tp -67.56 -37.27 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.172 0.51 . . . . 0.0 110.179 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.601 ' NE ' HG23 ' A' ' 52' ' ' ILE . 19.6 mmt180 -67.65 -35.94 79.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.021 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.58 -30.67 72.59 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.272 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -71.23 -47.25 58.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.322 0.582 . . . . 0.0 109.904 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.83 -37.3 77.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.343 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.01 -48.05 64.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.501 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -63.67 -37.6 87.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.168 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.36 -49.08 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.566 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.39 -32.91 74.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.06 -47.67 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.047 0.451 . . . . 0.0 109.845 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -60.59 -43.58 97.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.533 175.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.08 74.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.376 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.7 m -67.41 -44.61 78.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.81 -34.13 67.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 121.242 0.544 . . . . 0.0 110.429 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -72.54 -11.67 60.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.465 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.44 26.34 57.26 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.64 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -83.45 -32.64 25.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.185 0.517 . . . . 0.0 109.705 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -147.22 154.06 40.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.021 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -120.56 173.47 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 110.455 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.81 -162.31 24.11 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.234 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.531 ' OD1' ' HD3' ' A' ' 94' ' ' ARG . 5.7 t70 -87.79 170.93 10.78 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 45.8 t-20 -89.54 137.78 28.66 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 86.6 Cg_endo -86.24 -10.0 6.93 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.254 1.969 . . . . 0.0 113.678 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.04 3.0 56.21 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -175.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.531 ' HD3' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -102.53 150.36 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.966 0.412 . . . . 0.0 110.889 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.86 120.08 29.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.144 0.497 . . . . 0.0 112.088 -176.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -104.33 103.33 13.05 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.15 -56.98 0.56 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -173.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.7 t80 61.68 -165.91 0.22 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.517 0.327 . . . . 0.0 110.269 173.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.45 -73.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.115 0.483 . . . . 0.0 109.839 175.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -152.76 104.93 2.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.1 176.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -76.75 104.53 7.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -137.5 134.59 35.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.879 0.371 . . . . 0.0 110.712 -176.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -65.96 0.97 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.677 172.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.0 t60 60.04 21.39 10.55 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.704 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -177.56 123.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.078 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.23 -0.891 . . . . 0.0 109.978 177.766 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.8 tpp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.621 0.248 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 74.6 p -97.0 164.26 12.6 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -63.33 -36.43 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -61.83 -47.06 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.632 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.582 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 45.7 mt-10 -63.33 -48.04 79.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 16.3 t -61.2 -44.96 96.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.935 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.17 89.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.931 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.21 82.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.987 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 86.5 mt -64.22 -43.11 95.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.475 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -56.9 -43.53 81.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.196 0.522 . . . . 0.0 110.222 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.471 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 90.5 mt -65.59 -50.05 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.08 178.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HA ' ' HB3' ' A' ' 15' ' ' ARG . 93.2 mttt -67.21 -33.36 75.21 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.47 -14.31 56.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.775 0.322 . . . . 0.0 111.52 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.446 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 76.3 m80 -122.12 2.22 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.983 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.594 ' HA ' ' HB2' ' A' ' 18' ' ' TRP . 2.9 ptm180 -58.77 -21.67 56.3 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -166.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -77.0 -42.75 37.45 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.768 -0.582 . . . . 0.0 110.957 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -73.88 -14.93 61.15 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.594 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 1.6 m0 -107.59 65.38 0.64 Allowed 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.824 -174.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.672 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 48.6 mmtm -42.77 129.02 4.26 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 105.951 -1.87 . . . . 0.0 105.951 162.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.672 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 9.4 t30 80.73 4.3 1.65 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 48.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.416 ' H ' ' C ' ' A' ' 19' ' ' LYS . 52.7 p -113.51 -169.24 1.46 Allowed 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 112.475 -2.148 . . . . 0.0 107.113 166.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -78.77 0.55 26.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 118.439 0.563 . . . . 0.0 112.335 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -60.46 -46.05 91.48 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.711 0.291 . . . . 0.0 110.775 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.19 86.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.55 -42.15 83.1 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.224 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.05 -38.85 77.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.909 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.61 ' HA ' HH11 ' A' ' 73' ' ' ARG . 9.0 m95 -67.0 -51.21 57.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 175.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 m -65.86 -51.12 61.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.901 -174.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.82 -49.98 75.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.858 -169.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.3 m -61.9 -48.04 82.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.772 0.32 . . . . 0.0 111.308 -176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.9 mt -67.27 -42.3 87.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.673 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 75.6 tttt -62.68 -35.12 78.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.079 0.466 . . . . 0.0 110.899 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.7 m -81.74 -51.56 8.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.861 -174.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -79.68 -49.15 12.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.6 m -88.77 -28.66 20.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.675 -0.238 . . . . 0.0 111.399 -174.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.565 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -50.04 -64.34 3.61 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 115.976 -0.557 . . . . 0.0 114.084 -176.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.9 -26.58 49.32 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.831 2.354 . . . . 0.0 113.526 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.432 HG11 HG22 ' A' ' 55' ' ' VAL . 24.2 t -92.99 -73.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.49 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 42' ' ' LEU . 35.4 pt -101.59 0.76 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -173.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -56.43 -63.92 4.87 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-O 119.75 -0.472 . . . . 0.0 113.244 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 3.1 Cg_exo -76.42 -0.92 10.92 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.992 2.461 . . . . 0.0 112.515 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 39' ' ' ILE . 77.9 mt -81.47 159.06 24.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 t -67.16 147.52 52.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.797 0.332 . . . . 0.0 110.389 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.426 HG13 ' HB3' ' A' ' 87' ' ' ARG . 15.0 p -64.69 -17.79 22.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' CD ' ' HA ' ' A' ' 87' ' ' ARG . 22.6 mm-40 -74.01 -34.64 64.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.49 174.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -84.67 -5.99 59.34 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.94 109.88 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -129.13 165.26 21.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.445 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 m -58.62 -40.52 83.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.725 -175.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -58.56 -45.26 89.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.015 0.436 . . . . 0.0 109.921 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.0 mt -66.37 -43.61 85.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.829 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.7 mt -60.27 -41.06 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 64.3 mtt -63.13 -36.48 83.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.799 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -68.95 -37.73 79.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.92 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 51' ' ' LEU . 51.0 t -68.15 -48.41 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 59' ' ' ILE . 95.9 mt -73.44 -24.94 60.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.291 -174.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.566 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 4.3 t70 -49.12 -55.18 22.4 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 59.5 Cg_endo -74.36 -17.1 21.59 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.947 1.765 . . . . 0.0 112.589 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' LEU . 63.2 mt -75.19 -37.0 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.988 -177.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -58.8 -29.4 66.81 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.001 0.429 . . . . 0.0 111.494 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -73.33 -28.86 62.31 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.667 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -105.88 -49.55 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -135.69 79.07 47.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.152 -173.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.28 -40.96 17.42 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.494 2.129 . . . . 0.0 112.182 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -63.79 -40.71 97.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.134 0.492 . . . . 0.0 110.643 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.7 m -71.7 -32.55 67.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.795 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.8 93.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.725 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -71.17 -34.56 71.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -68.2 -32.84 73.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.27 0.557 . . . . 0.0 110.572 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 74' ' ' ILE . 51.4 tp -70.12 -43.1 71.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.219 177.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -61.13 -41.23 96.33 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.505 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.75 -38.43 95.18 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.133 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.61 HH11 ' HA ' ' A' ' 27' ' ' TRP . 75.9 mtm180 -70.86 -42.69 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.991 -0.123 . . . . 0.0 110.852 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 70' ' ' LEU . 75.5 mt -61.17 -46.9 95.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.576 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -55.07 -47.68 74.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.772 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.8 m -60.39 -44.04 96.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.179 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -67.12 -46.84 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.82 -43.58 98.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.543 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.99 -41.29 86.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.399 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -59.67 -44.06 93.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.165 175.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -64.32 -30.85 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.891 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.616 HG23 ' HA2' ' A' ' 89' ' ' GLY . 36.0 m -64.45 -44.75 90.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.354 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.1 -45.07 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.05 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.81 -19.39 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.104 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.01 31.76 16.51 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.711 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 38.1 m-85 -91.64 -28.73 17.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.474 ' HA ' ' CD ' ' A' ' 45' ' ' GLN . 4.9 ptm85 -135.97 171.71 14.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.44 173.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.37 175.46 6.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.799 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.616 ' HA2' HG23 ' A' ' 82' ' ' THR . . . -77.72 27.73 1.89 Allowed Glycine 0 CA--C 1.517 0.168 0 N-CA-C 115.488 0.955 . . . . 0.0 115.488 -166.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -118.88 143.76 46.79 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 117.398 0.599 . . . . 0.0 111.305 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -123.58 87.88 52.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.685 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.22 5.31 3.2 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.002 2.468 . . . . 0.0 113.345 -176.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.13 -22.55 19.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.012 0.434 . . . . 0.0 110.813 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -87.41 128.63 35.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.541 0.686 . . . . 0.0 110.458 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.584 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -115.14 122.69 46.85 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.24 -176.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -72.45 -25.25 61.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.86 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.17 88.96 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.662 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.584 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 52.2 t80 -106.77 -46.42 3.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 171.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.4 mt -100.82 17.81 21.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.888 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.07 120.7 8.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.55 -175.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -157.54 141.16 15.7 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -84.75 127.94 34.36 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.076 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -108.05 134.06 51.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.204 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -152.09 142.31 22.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.689 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -133.57 113.75 12.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 172.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 59.6 m170 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.577 -172.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -91.51 165.28 13.44 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.113 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -62.63 -43.21 99.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.872 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.6 m -64.82 -43.3 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.141 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.1 mt-10 -67.42 -43.08 82.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.132 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' HA ' HD12 ' A' ' 9' ' ' LEU . 13.6 t -62.03 -43.63 98.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.393 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.93 89.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.361 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.94 86.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.949 178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.2 mt -60.42 -45.78 92.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.385 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.61 -49.37 77.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.937 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.61 -47.13 94.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.128 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.696 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 95.5 mttt -63.67 -33.08 74.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 111.145 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.82 -14.54 63.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.625 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -122.64 9.27 9.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.696 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 20.4 ptt180 -68.05 -26.38 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 110.59 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -72.02 -26.56 62.26 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.324 175.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -32.24 24.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.356 0.598 . . . . 0.0 110.097 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.2 m0 -96.59 42.94 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.733 -176.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 20' ' ' ASN . 61.8 pttt -120.88 128.25 52.63 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 19' ' ' LYS . 8.0 t30 -111.36 96.6 6.21 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.257 8.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.8 p -132.45 142.82 49.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.222 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HB3' ' HE3' ' A' ' 22' ' ' LYS . 12.2 mtpp -87.49 -2.46 58.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 177.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 2.4 p-80 -61.95 -27.83 69.12 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' TRP . . . -56.71 -42.73 79.68 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.218 0.533 . . . . 0.0 110.826 174.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.2 -42.81 88.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.083 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -60.6 -33.61 72.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.425 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.53 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 7.9 m95 -54.59 -51.4 65.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.676 0.275 . . . . 0.0 110.266 174.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 m -69.46 -43.24 73.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.278 0.561 . . . . 0.0 110.537 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -58.45 -48.96 79.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.517 -174.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m -67.22 -45.87 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.319 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.9 mt -62.74 -41.92 94.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.775 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.36 -31.34 71.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.943 0.401 . . . . 0.0 110.809 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 m -77.6 -53.15 7.93 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -80.34 -50.15 10.55 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.6 m -93.04 -26.21 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.389 -172.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.01 -65.02 2.43 Favored Glycine 0 CA--C 1.523 0.543 0 O-C-N 123.755 0.659 . . . . 0.0 114.566 -175.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.95 -9.34 24.58 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.693 2.262 . . . . 0.0 113.372 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.45 HG12 HG23 ' A' ' 39' ' ' ILE . 27.3 t -106.23 -73.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.646 0.26 . . . . 0.0 111.431 -176.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 42' ' ' LEU . 36.9 pt -108.88 6.36 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.566 -173.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.91 -64.41 4.32 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 116.124 -0.489 . . . . 0.0 113.546 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -75.3 5.06 4.36 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.77 2.314 . . . . 0.0 113.276 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.4 mt -80.33 146.14 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.3 m -59.84 138.76 57.71 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 120.762 0.315 . . . . 0.0 110.644 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.669 HG22 HH21 ' A' ' 87' ' ' ARG . 6.0 p -70.31 -12.43 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 121.271 0.557 . . . . 0.0 111.04 -174.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -87.32 -26.83 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.494 0.664 . . . . 0.0 109.601 173.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.71 -15.42 32.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.673 -174.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -57.92 107.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.401 ' H ' HD12 ' A' ' 51' ' ' LEU . 21.5 t70 -108.92 163.95 12.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.738 -175.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.3 m -65.15 -33.82 76.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.155 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 8.1 tmtt? -66.78 -38.54 86.75 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 48' ' ' ASP . 79.3 mt -66.81 -38.28 86.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.311 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.5 mt -67.08 -38.75 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.229 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.448 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 13.2 mmt -57.33 -36.68 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 50.6 mtpt -59.87 -42.08 92.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.383 . . . . 0.0 110.742 177.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.3 t -74.04 -47.09 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.097 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.4 mt -78.97 -31.09 44.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -171.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.609 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 24.9 t0 -47.13 -56.22 12.93 Favored Pre-proline 0 N--CA 1.476 0.828 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -174.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 36.8 Cg_endo -68.67 -33.43 21.58 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.585 1.523 . . . . 0.0 112.138 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.582 HG22 ' HB2' ' A' ' 67' ' ' ALA . 32.9 mm -68.8 -31.07 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.088 -176.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -54.81 -37.41 66.07 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.964 0.411 . . . . 0.0 110.89 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.23 -42.68 13.59 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.346 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -66.7 -59.25 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 111.364 -177.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -138.65 82.63 21.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.942 -173.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.11 -46.37 31.44 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.22 2.613 . . . . 0.0 113.291 -174.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.19 -33.6 73.61 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.09 0.471 . . . . 0.0 110.743 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 m -71.86 -36.84 70.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.8 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.582 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -61.08 -45.18 95.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.025 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 p -70.88 -39.48 72.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.302 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.72 -37.62 85.05 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.036 0.446 . . . . 0.0 111.11 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 73' ' ' ARG . 54.4 tp -67.87 -41.99 81.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.706 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.495 ' NH1' ' HB2' ' A' ' 95' ' ' TRP . 5.1 ttp180 -62.93 -36.74 84.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.284 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.2 -43.02 99.92 Favored Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.887 -178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 20.0 ptp180 -71.83 -34.3 69.18 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.469 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.21 -39.84 83.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.88 -48.42 70.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.722 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.8 t -66.33 -42.66 87.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.899 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 73' ' ' ARG . 91.3 t -65.04 -46.42 91.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.944 0.402 . . . . 0.0 110.678 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 92' ' ' PRO . 74.4 mt -61.62 -46.94 87.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.36 -40.13 89.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.912 0.387 . . . . 0.0 110.966 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.21 -45.57 94.03 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.681 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.98 -31.66 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.6 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.2 m -64.3 -48.69 74.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.822 0.344 . . . . 0.0 110.777 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.2 -36.28 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.694 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -66.51 -15.39 63.35 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.104 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.33 33.96 11.14 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.142 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -90.82 -4.76 56.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.023 0.44 . . . . 0.0 110.614 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.669 HH21 HG22 ' A' ' 44' ' ' VAL . 10.2 ptp85 -166.03 171.34 12.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.126 174.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -116.93 164.36 14.8 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.37 -138.26 15.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.581 -177.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -117.84 178.59 4.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -83.09 144.13 46.8 Favored Pre-proline 0 N--CA 1.445 -0.721 0 CA-C-O 120.861 0.362 . . . . 0.0 110.388 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.493 ' HD2' HD13 ' A' ' 78' ' ' LEU . 60.2 Cg_endo -73.65 0.26 8.41 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.78 2.32 . . . . 0.0 113.235 -177.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -101.4 18.03 21.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.769 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.0 115.22 10.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.36 0.6 . . . . 0.0 111.873 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.495 ' HB2' ' NH1' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -143.78 104.0 4.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.859 178.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -75.36 -17.3 60.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.006 0.431 . . . . 0.0 110.571 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.81 68.72 0.27 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.141 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -70.58 -65.28 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.473 0.177 . . . . 0.0 110.624 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.6 mt -124.2 -75.59 0.6 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.942 0.401 . . . . 0.0 110.559 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -127.07 124.51 39.43 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -139.92 63.64 1.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.021 0.439 . . . . 0.0 110.891 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -96.1 -81.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 171.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 15.6 t60 56.85 93.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 O-C-N 123.829 0.705 . . . . 0.0 110.386 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -56.91 125.64 23.43 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -176.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -110.02 178.66 4.34 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 -173.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 68.8 t60 . . . . . 0 C--O 1.247 0.968 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 174.779 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 43' ' ' SER . 42.9 tpp . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 67.5 p -95.64 162.57 13.56 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -58.96 -40.06 83.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.718 0.294 . . . . 0.0 110.634 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.8 m -60.97 -46.98 88.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 50.5 mt-10 -66.94 -43.97 81.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t -62.79 -44.76 95.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.717 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.28 -40.95 87.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.675 176.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.5 -33.59 76.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.879 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.0 mt -68.07 -41.78 81.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.364 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -57.13 -48.25 79.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.486 . . . . 0.0 110.287 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.84 -49.46 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.062 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.682 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 62.6 mttp -65.25 -34.45 78.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.509 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.78 -18.98 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.859 0.361 . . . . 0.0 111.362 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -112.39 -2.99 14.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.554 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.682 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 42.5 ptt85 -56.92 -29.13 62.8 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -171.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 m -70.35 -42.51 71.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.78 0.324 . . . . 0.0 110.979 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -74.78 -16.17 60.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.785 0.802 . . . . 0.0 108.973 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.622 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 4.0 m0 -100.79 56.26 0.87 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.457 -1.247 . . . . 0.0 113.428 -172.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.905 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 43.4 mmtm -62.07 88.54 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 152.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.905 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 27.0 t-20 90.88 79.65 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 127.386 2.274 . . . . 0.0 107.525 49.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 p -151.23 -161.12 1.26 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 111.118 -2.765 . . . . 0.0 107.012 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 25.4 mmmt -57.07 -20.23 23.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.804 0.275 . . . . 0.0 111.709 175.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -60.27 -53.16 60.96 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.532 0.206 . . . . 0.0 111.331 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -34.92 75.9 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.088 0.47 . . . . 0.0 110.44 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.64 -51.31 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.871 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.8 mm-40 -60.2 -41.8 93.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.065 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -57.95 -51.13 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.73 0.3 . . . . 0.0 111.073 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 m -68.72 -41.01 79.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.251 0.548 . . . . 0.0 110.283 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -64.28 -48.96 73.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.937 -172.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 p -66.93 -50.49 62.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.732 0.301 . . . . 0.0 111.705 -176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.79 -41.02 90.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 3.5 tmmm? -62.56 -35.47 79.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.159 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.9 m -81.78 -51.97 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.887 -175.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -78.61 -49.8 12.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 39.1 m -88.48 -24.08 23.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.535 0.207 . . . . 0.0 111.469 -173.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.517 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -50.04 -64.72 3.34 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.77 -0.65 . . . . 0.0 114.431 -175.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.93 -24.14 78.72 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.697 2.265 . . . . 0.0 113.868 -174.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 t -96.7 -70.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -174.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.2 pt -104.05 -0.09 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.632 0.253 . . . . 0.0 111.458 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.493 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -53.83 -63.16 5.37 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.571 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.517 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 6.9 Cg_exo -74.24 4.88 3.97 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.133 2.556 . . . . 0.0 113.243 -177.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 39' ' ' ILE . 94.8 mt -89.74 143.87 26.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 1' ' ' MET . 12.5 m -61.27 135.85 57.86 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.326 177.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 86' ' ' TYR . 11.1 p -59.92 -24.34 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.64 -175.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 63.7 tt0 -73.8 -26.11 60.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.24 0.543 . . . . 0.0 111.079 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.81 -14.26 34.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.951 0.405 . . . . 0.0 110.629 -174.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.04 114.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.484 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -120.92 167.97 11.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.806 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.4 m -55.15 -43.89 74.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.382 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 50' ' ' LYS . 2.2 tmtp? -64.56 -38.03 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.06 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.86 -38.21 90.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.8 -39.37 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.261 177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.9 mtt -58.94 -37.21 76.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.794 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 59.5 mtpt -62.07 -38.02 87.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -71.92 -43.46 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.48 -24.8 50.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.656 -175.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.605 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 16.4 t70 -43.91 -57.11 6.42 Favored Pre-proline 0 N--CA 1.472 0.653 0 O-C-N 123.849 0.718 . . . . 0.0 112.699 -175.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 58.8 Cg_endo -71.99 -23.6 21.64 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 121.793 1.662 . . . . 0.0 112.526 -178.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.7 mm -75.43 -30.7 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 -175.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.423 ' O ' ' HG3' ' A' ' 64' ' ' PRO . 70.7 m95 -61.84 -28.63 69.62 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.347 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -82.13 -35.98 27.94 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.803 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -80.91 -60.32 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.234 -177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HE3' ' OG1' ' A' ' 66' ' ' THR . 28.9 mtpp -143.4 85.24 9.62 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.172 -175.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HG3' ' O ' ' A' ' 60' ' ' TRP . 32.4 Cg_exo -56.4 -49.74 14.1 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.368 2.712 . . . . 0.0 113.23 -174.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 71.2 mm-40 -60.8 -38.73 86.34 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.143 0.497 . . . . 0.0 110.716 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.582 ' OG1' ' HE3' ' A' ' 63' ' ' LYS . 29.9 m -68.01 -32.82 73.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.843 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 71' ' ' ARG . . . -62.23 -43.02 99.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.899 0.381 . . . . 0.0 111.073 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.724 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 24.1 t -70.22 -37.51 75.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.488 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 63.1 mtt180 -70.37 -32.49 70.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.025 0.441 . . . . 0.0 111.048 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.12 -34.22 77.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.308 176.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.724 ' HE ' ' HA ' ' A' ' 68' ' ' SER . 45.7 mtm180 -55.82 -36.15 67.16 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.555 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.54 -36.2 90.82 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.642 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 86.2 mtt-85 -68.02 -47.37 68.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.011 0.434 . . . . 0.0 109.963 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.5 mt -61.87 -44.51 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.489 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.8 -44.66 96.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.391 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.0 m -60.59 -43.14 97.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.316 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.1 t -69.85 -43.22 79.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.18 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.514 HD13 ' HD2' ' A' ' 92' ' ' PRO . 94.2 mt -63.86 -36.05 82.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.464 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.27 -45.21 85.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.231 0.539 . . . . 0.0 110.11 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.406 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 89.7 t90 -60.83 -44.51 96.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.349 176.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.9 -36.83 82.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.397 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.753 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 87.5 m -65.2 -42.48 93.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.977 0.417 . . . . 0.0 111.373 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 57.1 t -70.42 -34.21 57.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 110.563 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 84' ' ' ARG . 3.1 mpt_? -80.75 -4.07 53.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.588 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.42 3.25 78.55 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.888 172.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.45 ' HB3' HG11 ' A' ' 44' ' ' VAL . 36.8 m-85 -70.1 -21.48 63.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.448 0.642 . . . . 0.0 109.892 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.753 ' O ' ' HA ' ' A' ' 82' ' ' THR . 11.6 ptm180 -154.56 147.86 24.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 171.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -134.58 163.28 30.08 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.033 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.38 -102.15 0.99 Allowed Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.58 -176.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -147.01 162.75 38.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -82.28 141.1 45.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.514 ' HD2' HD13 ' A' ' 78' ' ' LEU . 93.4 Cg_endo -92.57 5.23 3.38 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.882 2.388 . . . . 0.0 112.735 -179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -98.55 1.4 46.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.69 -175.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.542 ' HD2' ' O ' ' A' ' 94' ' ' ARG . 5.0 ppt_? -96.55 142.95 28.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.965 0.412 . . . . 0.0 110.607 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.454 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -136.46 158.99 43.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.456 -175.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.44 -52.49 4.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.354 173.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.43 52.71 0.42 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.283 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.454 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 74.6 t80 -51.91 -53.67 38.23 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.174 0.511 . . . . 0.0 110.303 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.5 mt -91.44 -74.09 0.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.863 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -160.11 131.58 5.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -119.57 82.9 1.95 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -120.1 110.93 17.23 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -59.82 -56.17 25.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.626 -172.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.527 ' CG ' ' H ' ' A' ' 105' ' ' HIS . 23.6 t-80 60.22 -167.52 0.18 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.527 ' H ' ' CG ' ' A' ' 104' ' ' HIS . 3.5 t-160 72.8 115.96 0.05 Allowed 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 122.863 0.465 . . . . 0.0 110.743 173.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 . . . . . 0 C--O 1.243 0.717 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.954 177.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.6 p -86.09 162.81 18.24 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.033 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.24 -41.42 96.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.728 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.7 m -60.85 -40.87 94.49 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.804 0.335 . . . . 0.0 110.94 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 51.6 mt-10 -67.46 -48.35 67.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.23 -44.02 96.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.778 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.46 93.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.568 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.65 97.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 88.9 mt -63.74 -37.45 87.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.74 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -57.68 -44.36 85.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.105 0.478 . . . . 0.0 110.161 176.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.0 -47.95 65.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.47 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.552 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 95.7 mttt -56.98 -46.1 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.702 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.69 -3.82 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -130.1 6.64 5.0 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.212 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 16.4 ptt180 -72.57 -15.98 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.008 0.433 . . . . 0.0 111.155 -174.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -90.31 -29.39 18.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.812 173.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.2 m -74.6 -17.44 60.71 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.847 0.832 . . . . 0.0 109.038 173.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 52.0 m0 -114.32 77.9 1.1 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.38 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.901 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 66.4 mttm -61.48 84.73 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 160.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.901 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 33.6 t30 93.24 84.8 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 127.306 2.242 . . . . 0.0 107.373 50.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 p -164.9 -161.26 0.54 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 110.06 -3.246 . . . . 0.0 104.91 -172.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -63.49 -2.44 1.59 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.21 -45.87 79.69 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 174.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.0 -35.05 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.217 0.532 . . . . 0.0 110.118 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.81 -43.4 93.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.754 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -57.84 -42.56 84.66 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.213 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -66.02 -47.99 72.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.251 176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 25.5 m -69.02 -49.27 59.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.544 -175.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -57.75 -46.61 84.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.707 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.0 p -63.78 -53.14 55.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.732 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.21 -39.93 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.05 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' THR . 7.3 tmtt? -60.08 -38.62 83.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.251 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.8 m -81.84 -49.98 9.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.995 -174.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -79.34 -48.07 14.7 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.4 m -88.42 -28.13 21.1 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -174.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.55 -64.42 3.68 Favored Glycine 0 CA--C 1.523 0.585 0 O-C-N 123.653 0.596 . . . . 0.0 114.388 -175.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -58.52 -20.66 50.52 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.949 2.433 . . . . 0.0 113.93 -175.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.49 -79.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.434 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.483 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.3 pt -96.26 4.63 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 111.466 -174.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -55.1 -63.45 5.26 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.537 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.5 5.46 3.73 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.979 2.453 . . . . 0.0 113.087 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.6 mt -88.56 160.59 17.38 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -71.08 138.68 49.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.458 ' HA ' HG23 ' A' ' 47' ' ' VAL . 14.5 p -66.42 -22.03 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.562 0.696 . . . . 0.0 109.693 175.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.614 ' HG2' ' HB2' ' A' ' 87' ' ' ARG . 20.1 tm0? -75.07 -36.99 61.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.332 178.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -82.79 -7.63 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -177.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 44' ' ' VAL . 94.8 t -58.11 105.65 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.128 0.489 . . . . 0.0 111.068 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -116.89 167.07 11.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.007 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.46 ' O ' ' HG3' ' A' ' 53' ' ' MET . 1.4 m -58.36 -38.93 78.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.586 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -62.73 -39.07 92.93 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.007 0.432 . . . . 0.0 110.403 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.62 -38.77 90.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.674 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.46 -38.74 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.245 177.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' A' ' 49' ' ' THR . 67.3 mtt -59.45 -37.45 78.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -61.56 -38.18 86.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.3 t -75.32 -42.98 43.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.097 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.5 mt -76.72 -24.35 53.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -172.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.591 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.7 t70 -47.0 -55.56 14.84 Favored Pre-proline 0 N--CA 1.474 0.751 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -175.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 71.8 Cg_endo -77.18 -19.29 13.67 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.841 1.694 . . . . 0.0 113.299 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.57 HG22 ' HB2' ' A' ' 67' ' ' ALA . 57.0 mt -77.66 -39.72 27.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 O-C-N 122.462 -0.149 . . . . 0.0 111.3 -175.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -58.79 -29.98 67.23 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.16 0.505 . . . . 0.0 111.221 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -77.77 -27.18 50.24 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.191 -177.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -94.9 -61.89 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.323 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -140.47 85.86 12.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.178 -172.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.54 -31.06 93.62 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.777 2.318 . . . . 0.0 112.467 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.41 -45.02 92.91 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.238 0.542 . . . . 0.0 110.454 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -71.22 -36.4 71.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.21 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.57 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -62.18 -40.99 97.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.519 177.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.1 m -65.65 -40.48 92.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.585 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -67.98 -38.49 82.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.887 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.2 tp -63.88 -39.34 93.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.915 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -54.47 -49.74 69.38 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.13 176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.58 -41.92 98.99 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.5 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -68.12 -43.07 79.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.543 0.211 . . . . 0.0 110.977 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.7 mt -64.06 -39.52 85.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.65 0.262 . . . . 0.0 110.604 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -56.25 -48.48 76.45 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.694 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.6 m -61.78 -43.78 98.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.493 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.14 -47.81 86.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.956 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.552 HD13 ' HD2' ' A' ' 92' ' ' PRO . 88.7 mt -65.78 -39.79 91.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.261 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 83' ' ' VAL . 32.4 t70 -65.52 -41.91 92.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.819 0.343 . . . . 0.0 110.357 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.419 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 64.9 t90 -58.11 -51.06 71.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.373 177.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.58 96.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.137 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.7 m -64.16 -43.27 95.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 79' ' ' ASP . 92.1 t -68.81 -40.04 80.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.82 178.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 24.8 mmm180 -69.24 -16.05 63.5 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.64 32.93 8.24 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.743 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -84.26 -15.02 48.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.025 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.614 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 11.5 ptt180 -164.48 164.48 21.87 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -96.08 176.1 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.56 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 86.54 -125.69 7.53 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.691 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -156.02 172.47 18.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 27.2 p-10 -90.86 143.19 28.37 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 118.395 0.543 . . . . 0.0 110.828 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.552 ' HD2' HD13 ' A' ' 78' ' ' LEU . 85.9 Cg_endo -87.82 5.68 5.35 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.019 2.479 . . . . 0.0 112.888 -174.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.49 -11.48 59.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -87.65 126.56 35.03 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.922 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -117.34 116.29 26.92 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.465 -178.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -73.17 -38.49 66.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.931 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.26 -21.47 2.79 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.24 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.6 t80 65.67 175.2 0.22 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.906 0.482 . . . . 0.0 110.648 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.13 -31.3 72.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.267 0.556 . . . . 0.0 110.394 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.571 ' HG2' ' H ' ' A' ' 101' ' ' HIS . 9.3 tt0 -87.74 -150.71 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.895 177.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.571 ' H ' ' HG2' ' A' ' 100' ' ' GLU . 32.7 t-80 -137.7 79.98 1.78 Allowed 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.094 -0.379 . . . . 0.0 110.58 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.0 t60 54.29 80.56 0.12 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.3 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -70.87 110.52 5.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.163 0.506 . . . . 0.0 110.807 -175.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 53.4 t-80 -106.82 17.05 23.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.572 178.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 30.7 m170 63.92 -88.78 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -165.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.4 m80 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.075 170.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.0 p -91.99 168.25 11.53 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.415 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -65.41 -39.89 92.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.587 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -64.49 -40.48 95.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.42 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 49.0 mt-10 -65.67 -49.39 68.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.764 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.4 t -60.88 -45.12 95.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.601 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.2 86.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.786 177.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -62.42 -30.81 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 77.7 mt -73.02 -43.76 61.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.642 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -56.76 -48.55 77.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.564 177.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.584 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 95.3 mt -58.51 -40.14 77.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.238 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 61.4 mttp -71.09 -45.06 64.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.751 0.31 . . . . 0.0 111.391 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.5 -28.92 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.003 0.43 . . . . 0.0 111.713 -176.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -107.11 6.76 29.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.65 -176.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.584 ' HB3' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -67.43 -37.58 83.24 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.626 0.25 . . . . 0.0 110.867 -175.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -67.08 -28.43 68.18 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.998 0.428 . . . . 0.0 110.889 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.3 t -70.89 -33.78 70.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.853 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -90.47 -39.4 12.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.827 0.346 . . . . 0.0 111.235 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.934 ' HA ' ' CB ' ' A' ' 20' ' ' ASN . 21.8 tttp 67.78 108.09 0.05 OUTLIER 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -156.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.934 ' CB ' ' HA ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER 79.97 8.89 1.48 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.101 2.161 . . . . 0.0 106.479 36.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.471 HG23 ' HG2' ' A' ' 19' ' ' LYS . 11.7 p -112.29 -85.11 0.58 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 113.8 -1.545 . . . . 0.0 109.193 166.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -108.79 -20.22 13.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.072 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 33.6 m-70 -55.22 -35.08 64.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.346 -172.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.23 93.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.813 0.339 . . . . 0.0 110.642 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.1 -36.45 66.77 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -58.8 -41.87 87.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.186 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.406 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 8.4 m95 -71.61 -46.7 58.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 176.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.3 m -61.34 -50.27 73.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.53 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -54.78 -50.25 68.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.967 -170.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 m -61.44 -53.61 54.24 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.986 0.422 . . . . 0.0 111.207 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.46 -42.0 89.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.043 -175.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -64.4 -32.99 74.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.022 0.439 . . . . 0.0 110.51 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.8 m -82.67 -51.59 7.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.22 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -79.07 -50.05 11.68 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -176.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' A' ' 70' ' ' LEU . 60.3 m -85.49 -30.66 23.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -174.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -49.71 -65.08 3.03 Favored Glycine 0 CA--C 1.522 0.474 0 O-C-N 123.877 0.736 . . . . 0.0 114.155 -175.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.77 -20.23 34.45 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.942 2.428 . . . . 0.0 113.811 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.602 HG11 HG22 ' A' ' 55' ' ' VAL . 29.1 t -100.63 -73.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.546 -176.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.505 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.8 pt -104.92 4.22 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.565 0.221 . . . . 0.0 111.567 -174.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.28 -63.69 4.95 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-N 116.159 -0.473 . . . . 0.0 113.33 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 5.0 Cg_exo -75.78 5.49 4.34 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.98 2.453 . . . . 0.0 113.016 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 39' ' ' ILE . 78.3 mt -86.31 153.16 22.17 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.455 ' HB3' ' OD2' ' A' ' 46' ' ' ASP . 32.7 t -61.97 141.53 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.439 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.1 -22.17 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.008 0.432 . . . . 0.0 110.142 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -80.18 -33.18 38.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 43' ' ' SER . 3.0 m-20 -69.95 -24.53 63.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.394 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.9 t -55.56 111.54 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.486 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -132.74 173.4 11.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.106 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -52.18 -49.25 64.2 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.902 0.751 . . . . 0.0 112.452 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -71.41 -34.13 70.07 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -174.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.36 -41.87 98.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.754 0.311 . . . . 0.0 110.252 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.94 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.079 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.47 ' O ' ' HB2' ' A' ' 57' ' ' ASP . 65.8 mtt -61.1 -40.1 92.47 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.235 178.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -59.87 -37.12 78.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.47 0.176 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.602 HG22 HG11 ' A' ' 38' ' ' VAL . 39.3 t -70.47 -48.77 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.624 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -76.42 -28.78 56.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.325 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.602 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 1.3 t70 -51.68 -53.21 53.09 Favored Pre-proline 0 N--CA 1.47 0.53 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -174.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 21.7 Cg_exo -63.27 -34.74 66.4 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.911 1.741 . . . . 0.0 112.036 175.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 57.3 mt -71.64 -32.78 46.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.424 -174.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -54.59 -25.4 26.12 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.96 -39.37 42.78 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 120.841 0.353 . . . . 0.0 111.908 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 62' ' ' GLN . 2.0 mp0 -105.97 -42.17 5.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -174.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -125.1 69.17 58.62 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.832 -0.167 . . . . 0.0 110.879 -173.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -63.9 -49.37 4.08 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.2 1.934 . . . . 0.0 112.118 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 38.9 tt0 -60.54 -41.5 94.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.882 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 m -69.53 -39.38 77.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.661 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 71' ' ' ARG . . . -61.76 -39.57 92.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.002 0.43 . . . . 0.0 109.972 175.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -64.19 -43.0 96.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.471 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 43.8 mtt180 -61.87 -43.53 98.66 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.117 0.485 . . . . 0.0 110.36 176.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD21 ' SG ' ' A' ' 35' ' ' CYS . 31.5 tp -61.14 -38.09 85.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.053 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 35.8 mtm180 -55.07 -44.38 74.74 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.59 -38.83 95.07 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.384 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 77' ' ' VAL . 92.1 mtt180 -67.94 -44.96 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.659 0.266 . . . . 0.0 110.687 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.6 -38.76 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.016 0.436 . . . . 0.0 109.901 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.457 ' HA ' HD21 ' A' ' 91' ' ' ASN . 5.0 tm-20 -58.44 -48.08 81.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.533 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 p -66.97 -33.25 75.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.724 0.297 . . . . 0.0 111.7 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 73' ' ' ARG . 85.6 t -71.24 -44.51 73.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 120.851 0.358 . . . . 0.0 110.794 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.57 -38.59 91.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.334 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.04 -45.22 93.28 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.005 0.431 . . . . 0.0 110.088 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.459 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 77.5 t90 -58.18 -51.18 70.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HA ' ' HD2' ' A' ' 86' ' ' TYR . . . -63.95 -32.91 74.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.737 0.303 . . . . 0.0 111.316 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.777 HG23 ' HA3' ' A' ' 89' ' ' GLY . 70.8 m -65.08 -49.69 69.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.956 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.7 t -70.62 -37.8 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -177.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 17.0 mmm180 -70.37 -25.35 63.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.264 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.31 37.62 5.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.288 175.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 81' ' ' ALA . 85.0 m-85 -91.25 -20.9 21.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.383 . . . . 0.0 110.277 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -161.63 157.93 25.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.78 142.3 56.14 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 170.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.777 ' HA3' HG23 ' A' ' 82' ' ' THR . . . -127.26 -132.75 3.68 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 119.2 -1.476 . . . . 0.0 115.673 -163.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.5 114.68 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 114.301 -0.949 . . . . 0.0 109.027 -160.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.516 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 14.6 t-20 -72.35 136.88 81.21 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.378 -161.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 91' ' ' ASN . 93.9 Cg_endo -87.22 -10.66 5.57 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.066 2.51 . . . . 0.0 112.372 173.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.87 2.87 40.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.242 0.544 . . . . 0.0 110.676 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -102.68 114.78 29.3 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.698 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -113.61 147.36 38.2 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.43 -173.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -75.77 -21.22 57.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.669 0.747 . . . . 0.0 109.014 171.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.43 89.63 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.046 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.402 ' HD2' ' HG ' ' A' ' 99' ' ' LEU . 67.1 t80 -50.64 -53.67 29.01 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.023 0.439 . . . . 0.0 110.588 -177.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.402 ' HG ' ' HD2' ' A' ' 98' ' ' TYR . 89.1 mt -114.88 -20.96 10.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 109.767 175.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -83.04 24.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.641 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -71.39 -12.12 61.25 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.323 -178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -96.21 93.13 6.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.39 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 54.36 85.04 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 O-C-N 124.081 0.863 . . . . 0.0 112.023 176.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -111.51 161.5 16.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.671 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -72.81 139.82 47.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.243 0.734 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.617 -177.544 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 tpp . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.893 0.377 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 60.4 p -103.68 167.9 9.49 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.831 175.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -61.71 -41.62 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.433 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -60.09 -43.89 95.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.097 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 41.8 mt-10 -66.0 -45.65 80.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.227 -178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.12 -40.85 90.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.244 0.545 . . . . 0.0 110.071 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.9 -43.48 94.8 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.234 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.22 75.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.074 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 92.7 mt -61.21 -49.59 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.968 0.413 . . . . 0.0 110.14 176.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -58.22 -44.9 88.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.735 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.24 -50.33 53.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.964 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -68.97 -34.54 75.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.453 0.168 . . . . 0.0 111.445 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.07 -6.77 36.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.323 . . . . 0.0 111.656 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -132.76 9.34 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.128 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -64.64 -36.27 83.72 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -172.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.403 ' O ' ' HE2' ' A' ' 19' ' ' LYS . 19.8 m -72.72 -25.72 61.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.169 0.509 . . . . 0.0 110.588 178.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 m -86.9 -12.99 46.09 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 25.7 m0 -93.09 31.25 1.47 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.169 0.509 . . . . 0.0 111.987 -176.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HE2' ' O ' ' A' ' 16' ' ' SER . 53.9 mtmt -72.72 145.31 47.24 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 165.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -96.32 132.32 41.93 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 125.47 1.508 . . . . 0.0 111.959 18.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.46 ' HB ' ' H ' ' A' ' 22' ' ' LYS . 10.7 p 67.1 -164.37 0.22 Allowed 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 114.106 -1.406 . . . . 0.0 113.777 170.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.741 ' HB3' ' HB3' ' A' ' 25' ' ' ASP . 33.6 mtmt -71.1 36.68 0.05 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -163.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -55.23 -35.2 64.66 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 120.641 0.257 . . . . 0.0 110.691 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.13 -39.4 78.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.957 0.408 . . . . 0.0 111.113 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.741 ' HB3' ' HB3' ' A' ' 22' ' ' LYS . 38.4 t70 -66.07 -39.03 89.73 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.035 0.445 . . . . 0.0 109.874 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -58.39 -45.43 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.58 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -62.19 -51.22 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.974 177.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 m -60.58 -48.99 79.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.196 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.48 -48.14 78.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.542 -173.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 p -64.9 -51.07 63.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.664 0.268 . . . . 0.0 111.64 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 73' ' ' ARG . 78.2 mt -61.39 -43.16 96.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.072 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' O ' ' HA3' ' A' ' 36' ' ' GLY . 23.2 ttpp -64.21 -29.57 70.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.7 m -81.48 -51.99 7.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.031 0.443 . . . . 0.0 111.76 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -79.95 -49.32 12.04 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.3 m -87.95 -22.35 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.107 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.492 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -51.87 -67.64 1.92 Allowed Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.974 -0.557 . . . . 0.0 113.94 -175.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.97 -5.05 4.25 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 122.904 2.403 . . . . 0.0 114.057 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.0 t -107.61 -66.39 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 111.02 -178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 42' ' ' LEU . 34.3 pt -116.77 2.45 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.627 -175.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -54.29 -63.57 5.06 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 116.088 -0.506 . . . . 0.0 113.329 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 6.7 Cg_exo -74.6 5.94 3.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.053 2.502 . . . . 0.0 113.028 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 39' ' ' ILE . 83.3 mt -94.44 168.05 11.12 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 177.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 47' ' ' VAL . 47.2 t -68.74 139.47 55.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.874 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.8 p -70.47 -20.02 22.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.502 0.668 . . . . 0.0 109.675 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.493 ' HA ' ' HB3' ' A' ' 87' ' ' ARG . 23.4 tm0? -77.16 -37.65 53.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.238 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.9 -18.86 60.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.121 -175.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.595 ' HA ' HD12 ' A' ' 51' ' ' LEU . 88.0 t -59.94 114.19 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.047 0.451 . . . . 0.0 110.468 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.445 ' O ' HG13 ' A' ' 52' ' ' ILE . 4.6 t70 -133.76 -173.18 3.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.091 -178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 m -58.54 -43.24 89.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.58 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -57.92 -45.19 86.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.02 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 47' ' ' VAL . 78.2 mt -67.93 -46.22 72.13 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.328 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.472 HD12 ' HB2' ' A' ' 92' ' ' PRO . 67.2 mt -61.07 -44.24 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.551 0.215 . . . . 0.0 111.544 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.6 ptp -64.37 -34.44 78.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.858 0.361 . . . . 0.0 110.6 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.721 ' HE3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.67 -37.57 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.224 177.04 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 51' ' ' LEU . 94.5 t -61.21 -45.99 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.531 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 59' ' ' ILE . 97.8 mt -72.21 -24.43 61.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.551 -177.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.6 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 4.8 t70 -48.11 -57.17 11.08 Favored Pre-proline 0 CA--C 1.541 0.606 0 O-C-N 123.705 0.628 . . . . 0.0 112.513 -174.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 72.9 Cg_endo -76.34 -14.57 18.28 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 121.744 1.629 . . . . 0.0 112.598 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 56' ' ' LEU . 61.2 mt -76.25 -34.38 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.561 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -60.99 -26.82 67.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.024 0.44 . . . . 0.0 110.743 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -75.94 -47.92 23.29 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.692 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.2 -65.25 0.87 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.936 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.691 ' HE3' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -132.36 85.6 48.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.511 -174.262 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.79 -26.54 79.65 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.592 2.195 . . . . 0.0 112.45 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -71.15 -45.1 64.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.456 0.646 . . . . 0.0 110.04 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.2 m -71.72 -31.02 66.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.174 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.08 75.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 111.13 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.0 m -70.23 -39.94 74.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -68.22 -37.54 80.94 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.231 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.46 -33.92 75.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.116 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -54.69 -37.34 65.69 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.403 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.59 -36.24 91.1 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.606 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.438 ' HB3' HD11 ' A' ' 31' ' ' ILE . 72.8 mtt85 -71.28 -45.33 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.6 mt -60.16 -41.55 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.127 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HA ' HD21 ' A' ' 91' ' ' ASN . 37.9 tt0 -59.7 -49.03 79.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.234 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -60.94 -39.18 88.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.313 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.3 t -70.96 -47.34 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.008 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.73 -37.33 82.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.308 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -59.45 -47.15 86.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.999 0.428 . . . . 0.0 109.912 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -62.21 -49.52 75.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.663 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.6 -37.58 84.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.737 -177.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.2 m -65.3 -44.09 89.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.31 -33.14 60.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.077 0.465 . . . . 0.0 110.691 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -77.48 -4.12 43.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.847 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.2 13.3 68.88 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.364 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -78.92 -19.64 51.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.089 0.471 . . . . 0.0 110.057 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.493 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 8.4 ptm180 -159.19 150.49 20.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -109.9 166.33 11.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.995 0.426 . . . . 0.0 111.071 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.57 -143.14 15.78 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.472 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.25 -175.08 2.73 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.542 HD21 ' HA ' ' A' ' 75' ' ' GLU . 15.8 t30 -94.64 136.2 23.31 Favored Pre-proline 0 C--N 1.319 -0.743 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.791 -178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HB2' HD12 ' A' ' 52' ' ' ILE . 2.8 Cg_exo -79.17 -20.62 9.8 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.935 2.423 . . . . 0.0 113.5 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.44 2.06 23.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -75.2 -64.54 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.966 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.574 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER 69.96 125.13 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 177.307 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -74.09 -30.52 62.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.74 173.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 160.46 77.03 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.98 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.574 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 62.9 t80 -71.24 -42.01 69.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.065 0.459 . . . . 0.0 110.291 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.58 -65.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.965 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -110.7 151.23 27.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.957 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -124.0 98.2 5.69 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 170.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -87.33 143.05 27.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.413 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -79.83 144.88 33.1 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.476 ' O ' ' HB3' ' A' ' 105' ' ' HIS . 56.5 t-80 -50.06 -55.13 16.05 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.448 0.467 . . . . 0.0 111.705 -176.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.476 ' HB3' ' O ' ' A' ' 104' ' ' HIS . 44.6 t-80 72.72 137.59 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.146 0.904 . . . . 0.0 110.361 -175.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.307 -0.854 . . . . 0.0 109.896 178.487 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.5 tpp . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.2 p -91.97 167.32 12.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.9 -41.74 95.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.503 -177.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.7 m -62.44 -44.74 95.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.651 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -65.79 -45.44 82.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.93 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.3 t -60.91 -46.06 92.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.472 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.16 94.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.987 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.01 97.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.872 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.3 mt -64.6 -39.75 94.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -57.5 -49.54 75.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.034 0.445 . . . . 0.0 110.405 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.46 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 80.1 mt -59.62 -48.38 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.857 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.72 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 97.7 mttt -68.9 -33.31 73.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.66 -178.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -18.01 62.54 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 111.184 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 18' ' ' TRP . 61.2 m-70 -114.6 -11.31 12.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 10.6 ptm180 -54.16 -25.36 22.1 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -169.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 t -64.54 -38.29 90.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.053 0.454 . . . . 0.0 110.7 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -92.69 -15.11 27.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.126 0.965 . . . . 0.0 108.926 173.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -98.97 39.96 1.24 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.904 -1.498 . . . . 0.0 112.683 -171.625 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.822 ' HA ' ' HB2' ' A' ' 20' ' ' ASN . 55.8 mttp -47.04 104.47 0.05 Allowed 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 163.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.822 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 2.9 t-20 88.4 14.32 0.08 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.892 2.077 . . . . 0.0 105.834 55.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 p -95.65 -162.61 0.97 Allowed 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 112.297 -2.229 . . . . 0.0 107.619 159.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -68.3 -9.39 47.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -55.71 -50.13 71.16 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 120.69 0.281 . . . . 0.0 111.292 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.54 80.84 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 110.325 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.87 -46.31 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.197 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.73 -33.56 68.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.724 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.506 ' CE3' ' HG3' ' A' ' 73' ' ' ARG . 8.8 m95 -76.79 -50.65 13.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.858 0.361 . . . . 0.0 110.951 176.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.4 m -63.08 -47.5 82.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.203 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -56.56 -45.45 81.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.272 -175.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.493 ' HB ' HD13 ' A' ' 70' ' ' LEU . 8.3 p -62.76 -44.23 96.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.754 0.311 . . . . 0.0 111.722 -178.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.0 mt -73.6 -44.8 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.126 0.488 . . . . 0.0 110.776 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.84 -38.37 78.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.912 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.7 m -82.7 -53.79 5.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.029 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -80.36 -50.41 10.18 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -174.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -85.66 -31.26 22.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.635 -170.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.522 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -45.26 -64.71 2.15 Favored Glycine 0 CA--C 1.524 0.63 0 O-C-N 123.793 0.683 . . . . 0.0 114.784 -175.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.27 -20.04 49.54 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 122.402 2.068 . . . . 0.0 113.72 -174.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -96.94 -73.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.658 -174.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 42' ' ' LEU . 32.7 pt -101.03 -3.03 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.43 -174.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.96 -63.54 4.93 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.767 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 7.2 Cg_exo -74.43 5.21 3.84 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.981 2.454 . . . . 0.0 113.344 -177.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 39' ' ' ILE . 55.8 mt -92.34 150.69 20.69 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m -57.95 128.9 39.41 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.579 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.99 -22.72 31.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.379 0.609 . . . . 0.0 111.129 -176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 33.7 tt0 -77.97 -24.35 48.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.316 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -97.53 -0.24 46.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.465 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.36 123.73 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.663 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.466 ' HB2' ' HG ' ' A' ' 51' ' ' LEU . 46.0 m-20 -96.65 168.57 10.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.787 -177.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -68.3 -39.27 82.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.064 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -61.86 -42.02 98.55 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.746 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' A' ' 48' ' ' ASP . 55.0 mt -59.08 -41.87 89.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.663 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.27 -42.41 90.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.602 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.0 -44.36 87.18 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 120.891 0.377 . . . . 0.0 110.517 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.14 -42.02 84.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.409 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 51' ' ' LEU . 61.3 t -70.16 -41.43 78.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.444 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.3 mt -79.18 -24.23 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.349 -174.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.625 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 12.8 t70 -46.5 -57.6 8.35 Favored Pre-proline 0 N--CA 1.474 0.742 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 55.8 Cg_endo -70.45 -11.94 30.77 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.855 1.703 . . . . 0.0 112.521 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.457 HG22 ' HB2' ' A' ' 67' ' ' ALA . 29.4 mt -91.78 -36.92 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.65 -178.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.507 ' O ' ' HG3' ' A' ' 64' ' ' PRO . 50.6 m95 -53.68 -34.05 57.42 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.074 0.464 . . . . 0.0 111.543 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -82.74 -40.69 20.2 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.701 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -84.83 -54.18 4.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.554 -174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -135.07 77.31 56.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.455 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HG3' ' O ' ' A' ' 60' ' ' TRP . 25.9 Cg_exo -60.84 -35.41 88.63 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.729 2.286 . . . . 0.0 111.868 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.56 -45.67 93.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.437 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.4 m -72.69 -33.9 66.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.81 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HB2' HG22 ' A' ' 59' ' ' ILE . . . -61.87 -48.48 80.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.33 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -68.13 -33.39 74.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.899 0.381 . . . . 0.0 111.023 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -72.12 -33.24 67.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.82 177.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.493 HD13 ' HB ' ' A' ' 30' ' ' THR . 64.8 tp -65.95 -34.95 79.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.077 176.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -58.25 -38.54 77.1 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.58 -32.07 80.02 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.522 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.506 ' HG3' ' CE3' ' A' ' 27' ' ' TRP . 6.3 mpt_? -66.35 -51.98 51.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.974 0.416 . . . . 0.0 110.031 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.0 mt -67.3 -39.72 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.478 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' HA ' HD21 ' A' ' 91' ' ' ASN . 36.2 tt0 -58.01 -47.51 82.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.152 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.7 t -75.44 -32.47 60.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.966 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 73' ' ' ARG . 75.5 t -67.49 -44.53 86.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.669 0.271 . . . . 0.0 110.53 177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.535 HD13 ' HD2' ' A' ' 92' ' ' PRO . 99.0 mt -66.98 -33.8 76.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 0.0 110.336 176.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.66 -47.06 87.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.419 0.628 . . . . 0.0 109.804 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -63.17 -45.8 90.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.868 177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -61.25 -35.19 76.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.671 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 89.7 m -62.56 -43.45 98.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.051 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.6 t -72.72 -40.51 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.723 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.591 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -72.32 -10.34 59.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.92 177.732 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.15 13.95 63.16 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.798 172.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.47 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 63.6 m-85 -68.81 -32.24 71.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.292 0.568 . . . . 0.0 109.945 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -150.09 152.72 35.22 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 170.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.07 176.13 8.97 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.121 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.98 99.41 0.06 OUTLIER Glycine 0 C--N 1.331 0.269 0 CA-C-N 115.954 -0.566 . . . . 0.0 114.457 -171.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' OD2' ' HD3' ' A' ' 92' ' ' PRO . 28.3 t70 -169.69 137.73 1.77 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.098 0.559 . . . . 0.0 109.778 174.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.441 HD21 ' HA ' ' A' ' 75' ' ' GLU . 22.9 t-20 -135.42 87.77 26.53 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.303 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.535 ' HD2' HD13 ' A' ' 78' ' ' LEU . 43.6 Cg_endo -67.94 -5.43 14.55 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.979 2.453 . . . . 0.0 113.159 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.13 -46.69 10.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.549 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 94' ' ' ARG . 26.5 ttp180 -72.1 132.09 43.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.556 0.693 . . . . 0.0 111.569 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.463 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 1.4 m-90 -120.34 148.94 43.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.063 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -102.83 -29.3 11.54 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -157.92 56.29 0.37 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.733 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.463 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 86.1 t80 -65.25 -41.56 94.17 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 173.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt -102.61 -66.35 0.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.047 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -165.62 148.11 7.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.115 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -83.2 94.68 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 109.615 172.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -127.26 127.88 45.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.118 -174.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -127.89 118.33 23.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.144 0.497 . . . . 0.0 111.604 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.34 126.08 18.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.526 173.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -82.24 -24.64 34.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.735 175.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 tpp . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.865 0.364 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 40' ' ' GLY . 60.1 p -95.5 166.4 11.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.17 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.2 -40.34 89.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.294 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 m -63.51 -43.48 97.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 43.0 mt-10 -65.42 -48.13 73.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.845 0.355 . . . . 0.0 111.064 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.3 t -62.17 -43.44 98.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.213 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.54 -45.15 89.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.622 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.79 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.062 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 87.8 mt -64.28 -41.63 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.484 177.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -62.59 -40.17 96.06 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.321 0.581 . . . . 0.0 109.938 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.97 -49.11 83.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.949 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.67 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 89.8 mttt -61.34 -32.85 72.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.848 0.356 . . . . 0.0 111.263 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.95 -10.35 56.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.63 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -129.27 4.59 5.21 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.67 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 11.5 ptm180 -65.69 -20.44 66.29 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.029 0.442 . . . . 0.0 110.807 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -69.73 -36.04 75.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.534 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -83.1 -30.75 27.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.229 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -88.27 21.54 2.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.84 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CD ' ' HA ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -102.3 130.74 49.09 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 174.012 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 26.5 t-20 -99.25 0.71 43.73 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 124.617 1.167 . . . . 0.0 111.573 13.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.57 ' HB ' ' HD2' ' A' ' 23' ' ' HIS . 75.7 p -56.82 162.15 2.52 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -83.18 10.91 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.958 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.57 ' HD2' ' HB ' ' A' ' 21' ' ' THR . 17.2 m-70 -58.67 -42.79 89.27 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 111.362 0.134 . . . . 0.0 111.362 -177.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.9 -46.53 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.925 0.393 . . . . 0.0 110.76 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.68 -47.94 70.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -63.25 -30.56 71.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.059 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.566 ' HA ' ' NH1' ' A' ' 73' ' ' ARG . 6.4 m95 -61.04 -47.1 87.98 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.228 172.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -67.77 -41.43 83.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.171 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -54.74 -50.29 68.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.901 -173.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.474 HG22 HD13 ' A' ' 70' ' ' LEU . 14.6 m -68.42 -43.16 77.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.551 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.49 -41.5 88.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.964 0.411 . . . . 0.0 110.525 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -58.69 -37.57 76.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.314 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.5 m -79.7 -55.45 5.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.85 -173.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.22 -49.81 9.69 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.3 m -84.97 -32.25 23.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.506 -171.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.476 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -44.45 -63.82 2.28 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 123.758 0.661 . . . . 0.0 114.644 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.97 -18.1 63.38 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.905 2.403 . . . . 0.0 113.845 -175.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 t -108.2 -77.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.678 -175.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 42' ' ' LEU . 32.5 pt -94.92 3.52 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 111.512 -174.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HB ' ' A' ' 2' ' ' THR . . . -55.74 -63.99 4.79 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.968 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 10.4 Cg_exo -72.45 -5.78 17.8 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.92 2.413 . . . . 0.0 112.853 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 39' ' ' ILE . 73.0 mt -76.36 141.4 41.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.888 0.375 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.425 ' HB2' ' OD1' ' A' ' 46' ' ' ASP . 13.8 m -65.2 141.85 58.52 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.912 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.72 -24.47 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -83.86 -21.34 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.34 0.59 . . . . 0.0 110.291 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' A' ' 43' ' ' SER . 1.7 m-20 -88.86 -28.56 20.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.019 -175.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.549 ' HA ' HD12 ' A' ' 51' ' ' LEU . 61.4 t -65.73 116.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.805 0.336 . . . . 0.0 110.302 177.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.463 ' OD1' ' HG ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -113.33 -174.7 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.336 -179.482 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' ' HG3' ' A' ' 53' ' ' MET . 25.6 m -59.97 -42.35 93.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.707 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -69.0 -40.09 78.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.725 0.297 . . . . 0.0 110.454 -175.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 47' ' ' VAL . 77.2 mt -61.7 -38.81 89.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.762 177.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.518 HD13 ' HB2' ' A' ' 93' ' ' ALA . 81.0 mt -68.93 -36.36 73.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.424 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 49' ' ' THR . 63.2 mtt -56.8 -45.13 82.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.762 176.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 40.4 mtpt -59.13 -36.53 75.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.383 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.63 -44.13 70.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.957 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.35 -30.15 57.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.556 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 6.7 t70 -48.3 -55.22 19.69 Favored Pre-proline 0 N--CA 1.472 0.673 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 60.6 Cg_endo -73.63 -14.14 24.67 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.968 1.779 . . . . 0.0 112.976 -179.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.9 mt -80.41 -31.02 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 122.326 -0.234 . . . . 0.0 110.446 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -61.28 -24.41 66.38 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.094 0.473 . . . . 0.0 110.552 175.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 58' ' ' PRO . 7.5 mm-40 -69.9 -46.94 64.33 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.741 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.482 ' HG2' ' HG3' ' A' ' 63' ' ' LYS . 26.9 tt0 -87.82 -59.07 2.35 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.142 -173.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.532 ' HB2' ' HB ' ' A' ' 66' ' ' THR . 21.9 mtpp -137.83 86.93 17.46 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.99 -171.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.57 -50.03 15.46 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.038 2.492 . . . . 0.0 113.617 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 36.3 tt0 -66.41 -35.72 81.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.005 0.431 . . . . 0.0 110.44 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 63' ' ' LYS . 80.2 m -69.98 -32.73 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.645 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.33 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.487 . . . . 0.0 109.922 173.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 m -68.98 -41.57 77.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.678 178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.504 ' HE ' ' HA ' ' A' ' 66' ' ' THR . 82.0 mtm180 -68.51 -34.71 76.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.357 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 74' ' ' ILE . 58.7 tp -66.45 -45.83 78.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -39.41 84.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.403 178.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.67 -43.74 98.68 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.595 -0.729 . . . . 0.0 113.035 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.566 ' NH1' ' HA ' ' A' ' 27' ' ' TRP . 18.4 ptp180 -72.93 -34.23 66.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.148 0.474 . . . . 0.0 110.818 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 70' ' ' LEU . 77.9 mt -59.6 -39.79 80.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 110.605 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HA ' HD21 ' A' ' 91' ' ' ASN . 35.8 tt0 -54.98 -48.16 73.62 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.445 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.2 m -62.59 -36.34 82.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.683 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.7 t -71.19 -49.17 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.12 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.439 HD13 ' HG2' ' A' ' 92' ' ' PRO . 88.9 mt -64.44 -42.42 95.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.707 -176.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -68.77 -29.22 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.173 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -69.51 -40.15 77.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.026 0.441 . . . . 0.0 110.169 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -59.48 -36.71 76.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.174 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.63 HG21 ' HA2' ' A' ' 89' ' ' GLY . 29.7 m -63.42 -42.56 98.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.013 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 79' ' ' ASP . 66.9 t -62.25 -39.02 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.046 0.451 . . . . 0.0 110.255 177.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -76.86 -6.09 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.587 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.09 29.76 56.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.841 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.42 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 42.6 m-85 -84.31 -26.86 28.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.358 . . . . 0.0 110.568 176.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -146.42 175.19 10.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.561 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -79.4 167.65 20.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.654 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.63 ' HA2' HG21 ' A' ' 82' ' ' THR . . . -72.74 169.99 51.77 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.91 -0.586 . . . . 0.0 113.766 -175.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 48.9 t0 65.58 124.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 122.33 1.062 . . . . 0.0 111.306 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.411 ' OD1' ' HD2' ' A' ' 92' ' ' PRO . 30.6 t-20 -84.01 139.42 39.82 Favored Pre-proline 0 C--N 1.316 -0.881 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.916 -167.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.439 ' HG2' HD13 ' A' ' 78' ' ' LEU . 57.6 Cg_endo -74.39 -21.38 17.42 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.661 2.241 . . . . 0.0 112.563 175.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.518 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -95.39 11.95 30.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.903 0.382 . . . . 0.0 110.621 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 95' ' ' TRP . 65.7 ttt180 -65.25 -73.88 0.12 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.143 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.421 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 1.6 m-90 72.11 132.62 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.872 0.844 . . . . 0.0 112.637 179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 96' ' ' ARG . 45.4 mtp180 -98.83 -32.73 11.2 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.513 174.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.01 75.14 0.18 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.022 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -70.16 -59.39 2.92 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.5 mt -105.13 -31.87 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.488 0.661 . . . . 0.0 109.277 171.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' ' 101' ' ' HIS . 17.0 tt0 -177.37 176.12 1.36 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.11 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.403 ' H ' ' HG2' ' A' ' 100' ' ' GLU . 6.6 p80 -89.32 60.29 5.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.478 0.656 . . . . 0.0 111.086 -177.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -68.24 116.21 8.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.272 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -120.07 -140.54 0.34 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.732 -172.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -62.72 76.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 112.302 -177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 175.39 90.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.251 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.405 -0.807 . . . . 0.0 110.234 -178.306 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.446 0.165 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 53.0 p -103.09 165.59 10.93 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -64.47 -40.63 96.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.252 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.2 t -59.23 -47.39 85.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.72 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 47.4 mt-10 -61.57 -49.55 76.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.994 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 33.7 t -63.08 -47.71 81.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.986 -175.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.85 81.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.875 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.68 96.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 83.0 mt -63.04 -39.34 94.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.919 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -57.61 -49.76 75.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.331 0.586 . . . . 0.0 110.695 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.56 -46.74 79.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.912 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 58.2 mtpt -65.69 -34.01 77.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.54 -34.1 65.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 0.0 111.378 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -96.47 0.05 49.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.731 0.301 . . . . 0.0 110.628 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.574 ' HA ' ' HB2' ' A' ' 18' ' ' TRP . 13.3 ptm180 -66.2 -24.5 66.63 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 120.65 0.262 . . . . 0.0 110.783 -176.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -57.28 -42.73 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.154 0.502 . . . . 0.0 110.421 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.8 m -86.98 -8.41 57.23 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.574 ' HB2' ' HA ' ' A' ' 15' ' ' ARG . 36.5 m0 -101.01 27.16 6.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.23 -178.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.583 ' HB2' ' OG1' ' A' ' 21' ' ' THR 0.312 19.2 mtmt 74.38 -152.41 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 117.23 -1.367 . . . . 0.0 109.905 176.256 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.469 ' C ' ' CB ' ' A' ' 19' ' ' LYS . 92.6 m-20 -51.47 94.81 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 121.307 3.817 . . . . 0.0 121.307 68.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.777 ' HB ' ' HD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -128.49 134.93 48.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 112.912 -1.949 . . . . 0.0 108.356 154.78 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HE3' ' HB2' ' A' ' 22' ' ' LYS . 18.3 ptmt -74.4 -3.81 32.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -166.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.777 ' HD2' ' HB ' ' A' ' 21' ' ' THR . 5.2 p80 -57.96 -29.46 65.22 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.761 174.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.52 80.61 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.184 0.516 . . . . 0.0 110.48 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -67.18 -42.61 83.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.126 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.63 -38.22 77.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.584 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.469 ' HD1' ' O ' ' A' ' 23' ' ' HIS . 16.2 m95 -58.45 -52.0 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.973 0.416 . . . . 0.0 110.514 174.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.6 m -64.99 -45.47 85.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.557 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -58.79 -46.36 87.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.243 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 p -70.78 -47.24 60.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.457 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.23 -41.31 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.151 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -37.44 76.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.243 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.6 m -81.88 -52.48 7.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.602 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -79.84 -49.7 11.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 60.6 m -94.01 -23.34 18.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -171.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.71 -64.73 3.49 Favored Glycine 0 CA--C 1.523 0.538 0 O-C-N 123.494 0.496 . . . . 0.0 113.843 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.16 -4.99 10.1 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.923 2.416 . . . . 0.0 113.764 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.8 t -110.71 -65.81 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.564 0.221 . . . . 0.0 111.544 -176.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.501 ' HA ' HD12 ' A' ' 42' ' ' LEU . 29.9 pt -114.69 3.6 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -173.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.98 -63.99 4.76 Favored Glycine 0 CA--C 1.526 0.727 0 O-C-N 123.299 0.375 . . . . 0.0 113.898 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.48 3.95 5.92 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.656 2.237 . . . . 0.0 113.41 -178.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 39' ' ' ILE . 87.2 mt -82.13 163.69 21.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 46.6 t -70.27 150.8 46.0 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.075 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 87' ' ' ARG . 11.8 p -66.55 -18.86 24.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.205 0.526 . . . . 0.0 110.584 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.487 ' HB3' ' HB2' ' A' ' 87' ' ' ARG . 3.3 pt20 -103.77 -9.35 19.13 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 122.06 -0.4 . . . . 0.0 111.548 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.541 ' HB2' ' HB3' ' A' ' 43' ' ' SER . 5.1 m-20 -93.0 4.78 53.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 175.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.95 104.36 2.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 171.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.491 ' H ' HD12 ' A' ' 51' ' ' LEU . 55.7 m-20 -88.77 165.32 14.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.451 0.643 . . . . 0.0 111.533 -175.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 53' ' ' MET . 23.0 m -66.97 -41.36 86.96 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.815 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 53' ' ' MET . 2.6 tmtm? -69.67 -32.69 71.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.428 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.498 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 43.6 mt -65.95 -38.63 89.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.301 . . . . 0.0 111.084 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 48' ' ' ASP . 43.4 mt -68.38 -34.38 65.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.921 0.391 . . . . 0.0 110.327 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.429 ' HG3' ' O ' ' A' ' 49' ' ' THR . 66.3 mtt -55.5 -41.86 73.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.723 175.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 51' ' ' LEU . 26.6 mtpp -56.07 -38.15 70.28 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.122 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 59' ' ' ILE . 39.9 t -77.98 -48.22 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.86 -178.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.4 mt -72.42 -37.0 68.73 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -170.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 16.9 t70 -51.43 -55.19 31.26 Favored Pre-proline 0 N--CA 1.472 0.627 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -173.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 37.1 Cg_endo -68.49 -23.26 37.61 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.173 1.915 . . . . 0.0 112.386 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 55' ' ' VAL . 57.0 mt -73.88 -25.86 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.598 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.541 ' HD1' ' HA ' ' A' ' 57' ' ' ASP . 85.1 m95 -60.33 -26.36 66.51 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.732 0.301 . . . . 0.0 111.4 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -81.68 -31.7 32.12 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.782 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 62' ' ' GLN . 15.8 mm-40 -90.63 -58.45 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.421 -176.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -140.4 85.15 13.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.8 -175.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.85 -37.33 94.33 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.33 2.02 . . . . 0.0 112.329 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.02 -46.23 88.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.405 0.621 . . . . 0.0 110.34 178.057 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.0 m -71.41 -34.44 70.35 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.064 -177.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.76 96.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.97 0.414 . . . . 0.0 110.907 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.5 p -71.43 -34.84 70.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 65' ' ' GLU . 48.3 mtp180 -71.97 -35.06 69.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.343 . . . . 0.0 111.155 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.63 -39.98 93.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.141 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -56.34 -46.35 79.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.644 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.02 -40.38 95.17 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.729 -0.668 . . . . 0.0 113.178 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -71.61 -33.92 69.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.127 0.464 . . . . 0.0 110.834 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.33 -44.03 97.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.15 -43.73 70.83 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.469 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -60.28 -40.96 92.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.339 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.1 -48.76 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.094 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.444 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 87.4 mt -60.41 -41.84 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.81 -43.6 95.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.834 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -59.4 -47.01 87.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.746 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.638 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . . . -62.83 -35.97 81.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.252 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.402 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 55.2 m -62.72 -47.45 83.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.439 0.161 . . . . 0.0 110.695 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.64 -44.02 98.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.927 0.394 . . . . 0.0 110.708 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -68.72 -25.5 64.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.29 30.44 8.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.724 . . . . 0.0 113.036 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -100.6 1.61 40.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.942 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.549 ' HB3' HG13 ' A' ' 44' ' ' VAL . 8.9 ptm180 -163.73 174.41 11.68 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.45 -179.03 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.937 0.399 . . . . 0.0 111.339 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.402 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -94.27 25.39 22.61 Favored Glycine 0 C--N 1.33 0.21 0 N-CA-C 115.025 0.77 . . . . 0.0 115.025 -167.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -116.01 140.02 49.68 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 117.188 0.494 . . . . 0.0 110.494 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -119.45 90.22 42.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.623 0.249 . . . . 0.0 111.065 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.33 -10.63 11.25 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.671 2.914 . . . . 0.0 113.824 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.17 -9.24 58.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 110.639 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -95.2 131.4 41.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 172.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.766 ' CD1' ' HB2' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -123.25 128.76 50.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -167.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -115.61 -15.89 11.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.706 168.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.55 44.36 1.27 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.75 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.766 ' HB2' ' CD1' ' A' ' 95' ' ' TRP . 18.8 t80 -110.15 133.11 53.55 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.0 mt 49.01 51.67 15.75 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 123.697 0.623 . . . . 0.0 110.804 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.59 93.39 0.16 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.654 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -147.98 88.99 1.7 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.554 -173.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.07 97.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.842 -175.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -121.91 117.24 25.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.006 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -65.15 -61.39 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.058 -172.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -85.29 116.83 23.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.981 0.42 . . . . 0.0 111.047 -172.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 52.6 m80 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.992 179.205 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 tpp . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.893 0.378 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.9 p -95.52 164.14 12.92 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.17 -40.0 92.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.4 m -58.8 -46.91 86.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.634 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.8 mt-10 -62.33 -48.91 77.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -63.33 -46.79 85.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.41 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.86 98.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.731 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.83 94.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.01 178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 72.1 mt -64.15 -41.74 97.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.713 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -57.85 -45.7 85.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.134 0.492 . . . . 0.0 110.211 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.43 HG23 ' HZ3' ' A' ' 18' ' ' TRP . 99.3 mt -69.83 -49.82 54.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.327 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.647 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 55.0 tttm -65.59 -34.89 79.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.58 -175.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.36 2.65 20.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.2 -0.312 . . . . 0.0 111.449 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -136.7 6.17 2.93 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 111.4 0.148 . . . . 0.0 111.4 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 13.9 ptm180 -64.29 -39.72 94.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 0.0 110.789 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 m -71.16 -21.09 62.22 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.193 0.52 . . . . 0.0 110.8 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -80.63 -40.19 26.08 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.242 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.454 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 54.9 m0 -76.8 -31.29 56.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.443 -177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.909 ' HB3' ' CB ' ' A' ' 20' ' ' ASN 0.276 73.0 mmtt 77.06 -160.38 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 115.752 -2.071 . . . . 0.0 108.244 -179.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.909 ' CB ' ' HB3' ' A' ' 19' ' ' LYS . 11.1 t30 77.15 125.43 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.859 1 CA-C-N 126.344 4.156 . . . . 0.0 108.4 59.388 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.53 HG23 ' ND2' ' A' ' 20' ' ' ASN . 25.8 p 66.87 170.92 0.25 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.133 1.373 . . . . 0.0 111.624 -171.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -83.97 12.48 6.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.413 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -45.9 92.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.678 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -35.29 79.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.134 0.493 . . . . 0.0 110.477 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.27 -46.87 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.893 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -57.38 -40.55 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.641 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.536 ' CE3' ' HG3' ' A' ' 73' ' ' ARG . 40.4 m95 -60.0 -51.25 70.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.778 0.323 . . . . 0.0 111.01 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 m -69.91 -46.68 64.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.615 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.82 -49.83 76.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.022 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.582 HG22 HD13 ' A' ' 70' ' ' LEU . 13.3 m -65.77 -46.72 77.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.591 0.234 . . . . 0.0 111.298 -175.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.8 mt -64.41 -45.01 97.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.807 0.337 . . . . 0.0 110.837 -178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -58.8 -38.28 78.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.43 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.0 m -82.54 -53.5 5.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.002 -172.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -81.12 -49.17 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 70' ' ' LEU . 62.9 m -81.73 -27.37 33.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -174.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.52 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -46.59 -64.1 2.78 Favored Glycine 0 CA--C 1.527 0.809 0 O-C-N 123.758 0.661 . . . . 0.0 114.432 -176.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -63.14 -9.41 17.11 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.895 2.397 . . . . 0.0 114.367 -174.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.4 t -115.59 -78.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.467 -177.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.573 ' HA ' HD12 ' A' ' 42' ' ' LEU . 31.6 pt -93.57 -5.62 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.541 -173.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.85 -63.61 4.38 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 123.586 0.554 . . . . 0.0 113.623 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 4.4 Cg_exo -80.83 5.64 6.05 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.979 2.452 . . . . 0.0 113.012 -178.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 39' ' ' ILE . 84.3 mt -87.57 156.75 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 m -61.13 135.91 57.91 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.637 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.31 -24.98 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.703 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -80.3 -34.44 36.85 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.26 -18.43 62.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.987 -175.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 51' ' ' LEU . 60.8 t -62.21 108.5 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -122.76 -173.34 2.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.572 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.469 ' OG1' ' HB3' ' A' ' 92' ' ' PRO . 6.9 m -58.93 -42.18 89.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.748 -176.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.14 -45.39 94.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.138 0.494 . . . . 0.0 110.609 -176.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 47' ' ' VAL . 85.7 mt -65.74 -39.79 91.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.077 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.5 mt -69.48 -41.14 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.1 mtt -59.45 -41.33 89.4 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.458 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 39.9 mtpt -56.74 -37.92 71.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.312 . . . . 0.0 111.37 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.98 -49.2 40.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.996 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.98 -33.82 63.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -172.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.572 ' HB3' ' HD3' ' A' ' 58' ' ' PRO . 11.1 t70 -48.25 -56.21 15.14 Favored Pre-proline 0 N--CA 1.47 0.55 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 58.0 Cg_endo -72.83 -16.16 26.34 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 121.866 1.711 . . . . 0.0 113.056 -178.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mt -78.4 -29.19 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.219 -0.192 . . . . 0.0 110.802 -176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -57.44 -32.89 67.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.847 0.356 . . . . 0.0 111.699 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -77.9 -32.74 51.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.65 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -91.11 -56.68 3.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.602 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -141.25 80.32 16.82 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.256 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.62 -44.0 34.93 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.923 2.415 . . . . 0.0 113.03 -174.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -62.48 -40.08 95.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.162 0.505 . . . . 0.0 110.668 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -65.91 -36.25 82.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.448 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.89 98.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.891 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.448 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 11.1 t -69.2 -39.9 78.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.95 -35.66 79.09 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.582 HD13 HG22 ' A' ' 30' ' ' THR . 62.9 tp -63.24 -39.23 94.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.321 176.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HE ' ' HA ' ' A' ' 68' ' ' SER . 40.8 mtm105 -59.22 -41.57 88.95 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.166 176.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.39 -37.67 93.52 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.163 -0.542 . . . . 0.0 112.048 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.536 ' HG3' ' CE3' ' A' ' 27' ' ' TRP . 0.1 OUTLIER -63.92 -50.24 69.49 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.602 0.239 . . . . 0.0 110.425 175.598 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 56.2 mt -66.29 -44.07 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -177.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HA ' HD21 ' A' ' 91' ' ' ASN . 36.5 tt0 -55.26 -47.95 74.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -66.08 -36.89 84.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.293 -178.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 73' ' ' ARG . 89.4 t -70.62 -44.37 76.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.732 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 70.3 mt -64.33 -38.66 91.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.727 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.55 -46.99 87.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.044 0.449 . . . . 0.0 110.305 175.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.436 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 70.3 t90 -60.93 -47.15 87.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.167 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.68 -31.06 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.308 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.457 ' CG2' ' HA2' ' A' ' 89' ' ' GLY . 96.6 m -65.94 -49.26 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.614 176.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.9 t -66.99 -32.04 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 80' ' ' TRP . 25.9 mmm180 -80.75 -11.54 59.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.44 35.53 32.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.208 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -96.24 -19.12 19.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.854 0.359 . . . . 0.0 110.619 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -153.63 176.37 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.59 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.6 169.31 17.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.277 178.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.457 ' HA2' ' CG2' ' A' ' 82' ' ' THR . . . -86.39 16.44 44.49 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.91 -0.586 . . . . 0.0 114.344 -170.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' O ' ' HD3' ' A' ' 92' ' ' PRO . 24.5 t70 -98.15 133.69 42.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.412 HD21 ' HA ' ' A' ' 75' ' ' GLU . 44.6 t-20 -116.29 89.33 25.91 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.539 -175.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HB3' ' OG1' ' A' ' 49' ' ' THR . 16.2 Cg_exo -68.04 -3.89 11.48 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.359 2.706 . . . . 0.0 113.409 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -82.56 -14.02 55.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.243 0.544 . . . . 0.0 110.462 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -105.85 131.74 52.81 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.898 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.423 ' CG ' ' HB2' ' A' ' 98' ' ' TYR . 1.4 m-90 -117.24 148.12 41.92 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.11 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -104.62 -20.19 13.74 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -128.62 -88.13 0.56 Allowed Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.912 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.423 ' HB2' ' CG ' ' A' ' 95' ' ' TRP . 31.5 t80 60.98 -73.76 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.741 0.816 . . . . 0.0 112.395 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.06 -35.33 79.61 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.11 -176.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 71.58 -66.3 0.31 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.832 0.707 . . . . 0.0 112.13 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -67.57 109.25 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.077 0.465 . . . . 0.0 110.567 -175.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -93.89 139.85 30.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.631 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -121.7 111.99 17.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.973 172.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -89.71 81.27 6.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -122.06 140.11 52.9 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.238 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.9 p80 . . . . . 0 C--O 1.247 0.947 0 O-C-N 124.162 0.914 . . . . 0.0 111.182 -171.638 . . . . . . . . 0 0 . 1 stop_ save_