data_2ru9_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 2ru9 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.613 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.2 m . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.312 0.577 . . . . 0.0 111.784 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -118.33 117.93 30.41 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -82.47 108.04 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.062 0.458 . . . . 0.0 110.77 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.653 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.3 mt -81.78 148.67 28.77 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -109.44 98.36 7.77 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -90.74 135.87 25.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.915 -176.061 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.38 115.05 21.24 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -66.55 138.35 95.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.32 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.41 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.4 Cg_exo -56.29 152.15 40.35 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.67 2.246 . . . . 0.0 111.155 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -25.42 65.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.824 -175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -93.25 -28.65 16.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.211 0.529 . . . . 0.0 110.617 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.57 139.26 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.114 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.77 151.0 21.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.952 0.406 . . . . 0.0 111.121 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.447 ' CB ' ' HA ' ' A' ' 41' ' ' GLU . . . -76.21 86.72 3.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.455 173.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -142.28 177.3 8.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.715 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.42 -25.86 66.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.91 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.69 90.66 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.198 0.523 . . . . 0.0 110.098 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 10.2 tt -60.95 -39.86 91.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.609 174.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 79.2 tttt -64.93 -53.59 43.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.476 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.97 -33.82 62.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -71.84 -39.12 69.98 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.546 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.1 mt -74.37 -29.81 61.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.456 -0.152 . . . . 0.0 111.268 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -65.96 -9.44 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.625 0.25 . . . . 0.0 111.635 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -95.72 14.4 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.586 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 13.9 m -93.6 144.31 25.5 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -67.23 114.04 5.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.018 0.437 . . . . 0.0 111.274 -175.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 103.81 8.87 38.84 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.927 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.586 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.3 m -78.25 137.65 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.082 0.468 . . . . 0.0 111.061 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -114.12 -26.49 8.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.286 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -168.17 144.17 3.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.925 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.445 HG21 HG13 ' A' ' 48' ' ' VAL . 88.2 t -128.53 112.66 27.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -107.0 117.15 33.31 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.626 -176.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 1.5 mp -76.74 129.63 37.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-O 121.156 0.503 . . . . 0.0 110.124 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.93 85.36 2.1 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 20' ' ' ALA . 37.3 mt-10 -59.79 -40.32 87.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.05 -22.39 59.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.342 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -100.27 -7.18 24.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.04 0.448 . . . . 0.0 110.934 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.3 t60 53.77 40.24 31.26 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.288 -173.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.8 m -138.42 170.98 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.003 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -128.28 129.12 45.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.225 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 34.0 m-85 -99.81 102.85 14.4 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.289 0.566 . . . . 0.0 109.663 174.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.445 HG13 HG21 ' A' ' 37' ' ' VAL . 21.3 t -104.74 117.02 49.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.188 -176.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -82.82 126.11 32.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.02 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.613 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 26.5 pt -104.11 149.9 7.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.391 -177.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' A' ' 53' ' ' LYS . 14.2 t70 -93.03 103.86 16.13 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.114 173.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.4 m -69.74 1.32 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -174.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 30.1 mmmt -88.28 -28.36 21.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.152 -0.343 . . . . 0.0 110.597 176.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -110.34 -39.7 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.472 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 14.9 t -128.18 161.23 29.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.158 0.504 . . . . 0.0 111.673 -171.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -114.33 147.53 38.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.414 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 53.1 ttp180 -47.18 -54.53 10.44 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -173.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -63.63 -44.74 93.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.816 0.341 . . . . 0.0 110.724 -175.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.06 -51.67 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.052 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.518 ' O ' HD11 ' A' ' 64' ' ' ILE . 13.5 p -68.42 -37.15 77.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.2 tm-20 -55.46 -48.87 73.82 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.224 0.61 . . . . 0.0 109.908 176.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 35.4 tt0 -56.55 -43.52 80.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.702 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.23 83.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.518 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -61.33 -45.89 97.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.526 178.533 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 6.1 ppt_? -68.28 -32.26 72.29 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.4 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 57.0 mt-30 -65.66 -28.79 69.34 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.555 176.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.28 -21.14 62.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.308 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.41 HD13 ' HD3' ' A' ' 15' ' ' PRO . 54.7 mt -91.66 -39.64 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.056 175.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.517 178.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.619 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.0 m . . . . . 0 N--CA 1.447 -0.595 0 CA-C-O 121.421 0.629 . . . . 0.0 111.87 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -117.53 115.88 26.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.84 171.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -82.76 108.44 16.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 0.0 110.978 -176.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.597 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 6.8 mt -90.18 135.72 33.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.986 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -97.98 99.62 10.92 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mm -91.06 128.42 42.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.155 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.03 108.45 12.53 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -68.25 139.38 92.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD3' HD13 ' A' ' 68' ' ' LEU . 21.5 Cg_exo -55.34 157.38 14.61 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 123.083 2.522 . . . . 0.0 111.542 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.64 -19.53 60.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.983 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -92.77 -41.81 9.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.922 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.5 HD11 ' N ' ' A' ' 18' ' ' ILE . 2.1 mp -71.18 128.96 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.846 -177.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 143.96 32.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.139 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.42 90.98 5.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.085 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -151.26 -175.18 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.913 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.41 -30.94 68.82 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.06 -42.44 80.57 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.264 0.554 . . . . 0.0 110.612 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.578 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.5 tt -61.79 -42.05 98.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.541 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 80.4 tttt -61.32 -53.27 58.9 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.604 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -63.42 -34.67 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -73.48 -38.98 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.976 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.5 mt -70.34 -29.57 66.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.592 177.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.22 -6.58 9.84 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.585 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -101.86 26.23 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.561 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 8.8 m -108.43 146.94 32.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.644 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -57.09 118.78 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.708 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.9 7.47 66.11 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.601 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.561 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 32.6 m -71.42 136.88 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 117.161 0.48 . . . . 0.0 110.645 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 28.0 mmmt -111.8 -31.51 6.93 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.427 ' HG3' HD12 ' A' ' 38' ' ' LEU . 6.5 tp10 -170.29 146.3 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.913 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.438 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.1 t -123.77 115.14 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.005 0.431 . . . . 0.0 110.272 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 HD12 ' HG3' ' A' ' 36' ' ' GLU . 10.6 mp -96.83 135.64 38.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.176 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.24 121.61 46.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 170.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.57 85.54 2.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.27 -25.14 65.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.6 -174.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.09 -9.04 59.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.96 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -119.39 -8.33 10.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.169 0.509 . . . . 0.0 110.93 -172.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.5 t60 53.3 36.58 23.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.877 0.846 . . . . 0.0 109.045 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 m -138.12 165.95 25.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.163 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.16 139.14 54.11 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.597 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 54.9 m-85 -107.71 103.0 12.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.562 0.696 . . . . 0.0 110.031 173.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 49.0 t -96.4 111.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.832 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -86.27 115.19 23.66 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.619 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 43.0 pt -104.88 166.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.356 0.598 . . . . 0.0 111.428 -178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HB3' HG11 ' A' ' 54' ' ' VAL . 27.4 t70 -89.78 109.27 20.28 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.874 172.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 p -63.72 -7.74 8.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.631 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -88.46 -47.5 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.618 0.247 . . . . 0.0 111.289 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.422 HG11 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -84.99 -29.62 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -175.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -135.79 179.13 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.397 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.404 ' O ' HG11 ' A' ' 60' ' ' VAL . 48.5 t-20 -135.12 140.13 45.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 47.1 ttp180 -46.07 -54.43 8.53 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.19 -38.62 82.19 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.1 -171.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 62' ' ' GLN . 47.5 mt-10 -68.59 -48.22 64.73 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.255 0.55 . . . . 0.0 110.686 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.52 ' O ' HD11 ' A' ' 64' ' ' ILE . 12.1 p -69.29 -35.65 68.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.236 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.6 tm-20 -55.98 -43.62 77.77 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.473 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 8.4 tt0 -54.44 -45.5 73.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.486 176.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.31 -42.17 88.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.52 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.52 -46.52 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.464 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.4 ppt_? -62.2 -37.47 85.43 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -64.21 -32.82 74.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.626 0.25 . . . . 0.0 111.585 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.7 -21.97 63.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.192 0.52 . . . . 0.0 110.327 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.427 HD13 ' HD3' ' A' ' 15' ' ' PRO . 72.1 mt -89.98 -29.42 18.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.335 174.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 55.0 mm-40 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.294 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.627 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 12.6 m . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.071 0.462 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -126.73 125.93 42.62 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -90.38 108.28 19.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.207 0.527 . . . . 0.0 110.842 -176.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.2 mt -90.25 118.12 29.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.263 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -78.67 97.96 6.03 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mm -91.46 129.14 42.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.89 119.3 21.87 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.428 HG13 ' HA ' ' A' ' 45' ' ' SER . 66.7 mt -70.16 139.01 87.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.639 -176.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.41 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.7 Cg_exo -58.14 157.82 24.1 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.692 2.262 . . . . 0.0 111.404 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.71 75.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.63 -39.39 31.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.077 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.63 134.8 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.244 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.95 148.46 26.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.199 0.524 . . . . 0.0 111.525 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.88 93.61 8.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.589 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -167.37 -166.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -62.07 -32.09 72.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.597 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.77 82.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.265 0.555 . . . . 0.0 110.505 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 tt -65.33 -43.01 92.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.558 176.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 67.7 tttt -62.94 -52.15 64.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.491 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.65 -32.77 59.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -72.06 -39.16 69.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.245 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.516 ' O ' HG12 ' A' ' 34' ' ' VAL . 33.0 mt -76.19 -29.37 57.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.425 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.01 -4.93 3.84 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.31 17.7 22.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.705 0.288 . . . . 0.0 110.891 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.573 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 14.8 m -97.55 143.93 27.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.72 113.05 4.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.717 0.294 . . . . 0.0 111.378 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.433 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 103.98 11.01 33.31 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.731 176.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.573 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 33.0 m -80.88 143.34 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 110.715 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -117.08 -35.12 4.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.213 0.53 . . . . 0.0 110.052 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -167.05 141.33 3.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.173 -175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.549 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 62.8 t -120.69 113.62 40.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -105.79 106.96 17.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.596 -174.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.99 130.23 36.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.101 0.477 . . . . 0.0 110.207 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.84 89.8 3.17 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.07 -41.93 93.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.451 -172.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -74.94 -28.52 60.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.358 . . . . 0.0 111.328 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -83.08 -13.13 56.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.157 0.503 . . . . 0.0 110.443 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.8 t60 58.03 39.94 25.89 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.304 -174.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.428 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.4 m -142.27 165.76 26.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.506 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.82 129.54 26.24 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 175.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.567 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 63.7 m-85 -89.99 107.16 18.95 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.98 0.419 . . . . 0.0 110.586 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.4 t -88.67 108.37 18.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.514 ' HG2' ' HB ' ' A' ' 7' ' ' VAL . 4.7 ttmm -82.43 114.77 21.1 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.884 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.627 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 49.6 pt -104.82 170.7 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 CA-C-O 121.506 0.669 . . . . 0.0 111.922 -173.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.494 ' HB3' HG11 ' A' ' 54' ' ' VAL . 15.4 t70 -104.82 102.58 12.13 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.943 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -67.8 -2.38 7.07 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -89.04 -39.31 13.75 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.067 -0.396 . . . . 0.0 110.977 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 51' ' ' ASP . 7.9 p -92.3 -27.09 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.31 -178.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.433 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 12.7 t -145.19 165.53 28.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.43 . . . . 0.0 111.159 -176.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -118.01 154.04 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.516 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 16.7 ttm-85 -45.96 -53.52 9.84 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.62 -43.4 80.47 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.102 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.53 -51.97 65.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.289 0.566 . . . . 0.0 110.832 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.573 ' O ' HD11 ' A' ' 64' ' ' ILE . 13.2 p -68.98 -37.63 77.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.525 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 6.5 tm-20 -54.17 -46.98 72.46 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' HG3' ' NH2' ' A' ' 65' ' ' ARG . 8.3 tt0 -54.99 -44.25 74.3 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.613 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.06 79.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.573 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.69 -49.44 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.309 178.503 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.458 ' NH2' ' HG3' ' A' ' 62' ' ' GLN . 4.9 ppt_? -62.09 -36.62 82.26 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.17 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -65.09 -29.79 70.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.82 0.343 . . . . 0.0 111.707 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.49 61.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.961 0.41 . . . . 0.0 110.403 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.41 HD13 ' HD3' ' A' ' 15' ' ' PRO . 62.4 mt -95.47 -27.89 15.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 176.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.438 179.234 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.663 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 10.8 m . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 121.469 0.652 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.6 m -97.41 142.35 29.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.629 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -95.19 106.75 18.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.65 0.262 . . . . 0.0 110.699 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 9.3 mt -97.6 126.51 42.94 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' NH2' ' HB3' ' A' ' 43' ' ' GLU . 37.4 ttt180 -91.51 107.17 19.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.031 0.443 . . . . 0.0 110.222 175.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -93.57 128.09 45.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.892 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.83 108.64 10.0 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.425 HG13 ' HA ' ' A' ' 45' ' ' SER . 69.4 mt -64.38 140.12 97.88 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.465 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD3' HD13 ' A' ' 68' ' ' LEU . 16.9 Cg_exo -58.23 146.95 86.72 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.707 2.271 . . . . 0.0 110.544 175.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 -23.49 66.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.555 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.07 -37.86 17.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.021 0.438 . . . . 0.0 110.535 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.95 137.53 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.581 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.84 142.71 27.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.422 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.98 91.98 2.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.673 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -148.23 178.64 8.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.192 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.65 -28.97 70.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.203 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.77 79.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.158 0.504 . . . . 0.0 110.532 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 tt -61.81 -43.56 98.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.449 0.643 . . . . 0.0 109.585 174.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 78.5 tttt -61.55 -52.89 62.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.56 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.3 m -63.86 -35.38 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -70.28 -38.06 74.99 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.273 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 33.7 mt -74.68 -29.72 61.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.036 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.2 -8.51 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.69 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 24.1 mt-10 -104.08 19.99 19.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.704 0.287 . . . . 0.0 110.931 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.579 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 23.7 m -95.58 143.62 26.72 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -68.89 116.26 9.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.855 0.36 . . . . 0.0 110.893 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.43 9.46 29.15 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.328 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.579 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 29.8 m -86.06 159.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.296 0.57 . . . . 0.0 111.215 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -134.64 -35.86 0.87 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.982 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -168.89 140.51 2.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.703 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.582 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 95.3 t -122.51 129.73 75.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.065 0.46 . . . . 0.0 110.557 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.2 mp -109.03 141.04 41.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.931 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -102.69 132.73 48.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.117 0.484 . . . . 0.0 110.201 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.41 84.08 2.16 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.28 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.0 -43.4 81.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.143 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.75 -27.01 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.037 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.488 ' HB3' ' NH2' ' A' ' 11' ' ' ARG . 70.9 mm-40 -94.69 -12.21 27.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.295 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.424 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 17.3 t60 52.79 41.69 31.7 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.006 -169.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.425 ' HA ' HG13 ' A' ' 14' ' ' ILE . 21.2 m -138.55 167.72 21.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.373 -177.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -120.81 147.52 45.24 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.532 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 79.7 m-85 -113.57 104.1 11.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.386 0.612 . . . . 0.0 109.847 171.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.3 t -95.24 119.87 43.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.142 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -80.66 109.59 15.33 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.203 174.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.663 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.5 pt -105.2 160.48 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 CA-C-O 121.877 0.846 . . . . 0.0 112.478 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.423 ' HB3' HG11 ' A' ' 54' ' ' VAL . 9.9 t70 -92.22 92.71 8.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.23 173.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.2 p -66.87 -4.54 9.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.818 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -87.42 -26.64 23.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.731 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG11 ' HB3' ' A' ' 51' ' ' ASP . 7.6 p -104.15 -28.73 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.136 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -143.55 172.05 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.84 0.352 . . . . 0.0 111.038 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.441 ' O ' HG11 ' A' ' 60' ' ' VAL . 22.4 m-80 -119.48 160.23 22.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.533 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 19.1 ttm180 -46.13 -54.13 9.16 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -70.46 -38.64 74.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.841 0.353 . . . . 0.0 111.342 -166.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.24 -47.25 62.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.221 0.534 . . . . 0.0 110.775 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.517 HG12 HG23 ' A' ' 50' ' ' ILE . 14.5 p -71.66 -35.37 55.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.058 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.4 tm-20 -56.81 -43.67 81.22 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 48.9 tt0 -55.15 -46.46 75.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.139 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.86 96.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.976 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.467 HD11 HG21 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -61.32 -48.02 90.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.659 178.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -64.07 -34.31 77.75 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.302 -178.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 24.5 mt-30 -67.42 -28.13 67.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.815 0.341 . . . . 0.0 111.601 176.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.85 -21.08 61.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.392 0.615 . . . . 0.0 109.996 174.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.439 HD13 ' HD3' ' A' ' 15' ' ' PRO . 45.5 mt -92.78 -37.16 12.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.381 175.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.417 178.836 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 24.0 m . . . . . 0 N--CA 1.45 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 111.699 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.465 ' HB2' HG12 ' A' ' 50' ' ' ILE . 23.5 m -114.09 120.22 39.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 166.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -87.46 110.1 20.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.905 0.383 . . . . 0.0 110.447 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.2 mt -91.41 129.78 37.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.326 -177.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 11.0 ttp180 -89.77 102.86 15.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -91.9 128.9 43.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.974 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.91 112.34 17.11 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -74.06 137.94 75.9 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.903 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HB2' HD11 ' A' ' 18' ' ' ILE . 15.1 Cg_exo -60.5 136.75 69.51 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.708 2.272 . . . . 0.0 110.469 175.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.89 68.49 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.66 -29.37 45.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.146 0.498 . . . . 0.0 110.193 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.433 HD11 ' HB2' ' A' ' 15' ' ' PRO . 1.4 mp -81.54 139.96 17.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.851 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.52 143.43 26.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.115 0.483 . . . . 0.0 111.173 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.44 89.54 7.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.947 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -145.68 -173.02 4.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.14 -28.32 67.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.407 0.146 . . . . 0.0 111.025 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.92 80.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.338 0.589 . . . . 0.0 110.136 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 8.8 tt -64.4 -44.12 92.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.46 174.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 76.0 tttt -59.19 -53.72 55.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.485 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.94 -33.09 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 8.3 ptp180 -70.59 -37.45 73.92 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.064 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.554 ' O ' HG12 ' A' ' 34' ' ' VAL . 85.6 mt -76.91 -29.03 55.54 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.508 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.412 HD12 ' HE2' ' A' ' 25' ' ' LYS . 23.5 mt -61.84 -4.32 1.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.558 174.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -104.07 16.66 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.033 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.593 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 18.8 m -94.53 144.32 25.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.92 0.39 . . . . 0.0 110.343 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -61.27 101.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.091 -174.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.16 13.46 19.43 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.166 -0.54 . . . . 0.0 113.252 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.593 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.1 m -79.8 147.95 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 117.105 0.453 . . . . 0.0 111.551 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -121.11 -35.54 3.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.378 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -163.63 146.33 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.951 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.425 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 71.9 t -129.76 119.55 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tt -113.87 131.3 56.32 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.3 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.17 125.28 43.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.961 0.41 . . . . 0.0 110.829 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.42 88.86 2.83 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -38.5 88.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.622 -170.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.06 -21.59 66.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.024 0.44 . . . . 0.0 111.058 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -101.85 -11.15 19.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.658 0.742 . . . . 0.0 109.973 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.402 ' HE1' ' O ' ' A' ' 15' ' ' PRO . 10.6 t-80 50.63 40.55 24.15 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.484 -170.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.7 m -136.32 164.91 27.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.136 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -118.23 152.43 35.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.605 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.465 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 71.7 m-85 -115.31 103.92 11.3 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 171.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -101.22 113.71 38.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.265 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -83.94 122.07 28.23 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.837 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 7.7 pt -105.29 152.7 7.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.482 -176.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' HB3' HG11 ' A' ' 54' ' ' VAL . 25.4 t70 -83.21 102.09 11.67 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 168.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -65.21 -6.27 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.061 -173.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -86.87 -46.1 10.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.666 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 51' ' ' ASP . 9.8 p -84.16 -29.12 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.463 -177.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 t -141.13 175.05 9.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.978 0.418 . . . . 0.0 111.099 -175.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' HG11 ' A' ' 60' ' ' VAL . 96.1 m-20 -126.58 154.94 43.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.741 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.668 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 32.7 ttp180 -46.73 -53.8 11.03 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -70.24 -39.45 75.02 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.379 -0.529 . . . . 0.0 111.073 -169.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.3 -50.68 59.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.061 0.458 . . . . 0.0 111.222 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.482 ' O ' HD11 ' A' ' 64' ' ' ILE . 11.4 p -67.76 -37.51 78.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.083 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.668 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 1.5 tm-20 -55.3 -44.21 75.54 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.806 174.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.601 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 3.3 tp-100 -57.02 -46.24 82.49 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.074 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.25 96.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.635 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.482 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.5 OUTLIER -59.15 -49.08 84.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.536 178.839 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 7.6 ppt_? -60.67 -39.68 89.3 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.921 -178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' HD2' ' A' ' 65' ' ' ARG . 23.9 mt-30 -63.87 -28.7 70.02 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.989 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.37 -22.13 61.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.187 0.518 . . . . 0.0 110.416 175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.5 mt -91.9 -32.73 15.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.457 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.57 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 27.1 m . . . . . 0 N--CA 1.446 -0.625 0 CA-C-O 121.229 0.538 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -134.51 119.05 18.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 p -82.94 111.17 18.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.084 0.469 . . . . 0.0 111.126 -175.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.5 mt -86.0 131.26 34.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.801 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 32.6 ttp180 -89.0 103.96 16.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mm -90.58 120.58 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.056 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.99 108.57 10.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.277 0.56 . . . . 0.0 109.725 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.417 HG13 ' HA ' ' A' ' 45' ' ' SER . 82.0 mt -72.67 140.94 81.88 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.619 -171.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -58.86 156.05 35.12 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.988 2.459 . . . . 0.0 111.789 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.01 -29.4 64.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.59 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -85.11 -39.35 18.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.02 135.7 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.564 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 133.25 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.998 0.427 . . . . 0.0 111.439 -177.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.57 83.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 171.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -145.1 178.5 8.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 -168.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.56 -28.06 69.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.88 0.371 . . . . 0.0 110.031 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.11 -41.51 83.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.355 0.598 . . . . 0.0 110.25 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.9 tt -63.01 -42.12 99.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.653 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 80.6 tttt -60.25 -53.1 61.75 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.371 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.8 m -65.1 -34.53 71.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -173.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -71.44 -36.33 71.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.749 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.0 mt -74.41 -29.82 61.67 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.585 0.231 . . . . 0.0 110.816 177.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.63 -5.1 7.36 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.593 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 44.7 mt-10 -99.2 13.8 31.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 111.038 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.592 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 13.5 m -95.55 143.93 26.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -176.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -71.51 119.2 15.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.084 -0.385 . . . . 0.0 110.878 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.68 9.52 35.07 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.388 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.592 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.0 m -83.72 141.62 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.147 0.499 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 32.5 mmmt -117.46 -31.33 5.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.395 174.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -170.21 146.71 3.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.356 -175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.466 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 83.7 t -129.59 114.01 29.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.032 0.444 . . . . 0.0 110.045 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 tt -105.31 132.19 51.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.943 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -95.98 128.57 47.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.992 0.425 . . . . 0.0 110.257 176.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.18 87.19 2.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.588 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.24 -33.21 73.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.097 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.84 -29.61 70.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.556 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -95.81 -7.39 37.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.361 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.2 t60 53.26 34.7 18.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 122.019 0.914 . . . . 0.0 109.24 -171.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.417 ' HA ' HG13 ' A' ' 14' ' ' ILE . 15.7 m -143.28 159.57 42.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.922 -175.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.507 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -107.13 157.97 17.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.009 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.579 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 96.6 m-85 -121.89 103.36 8.79 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 171.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.1 t -100.91 111.62 31.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.08 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -78.68 121.24 24.45 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.636 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 46.7 pt -103.82 156.42 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 CA-C-O 121.703 0.763 . . . . 0.0 111.096 -177.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.503 ' HB3' HG11 ' A' ' 54' ' ' VAL . 16.0 t70 -89.47 98.77 11.95 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.905 -1.498 . . . . 0.0 108.622 175.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 m -66.06 -6.72 13.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.925 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -88.08 -16.16 34.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.503 HG11 ' HB3' ' A' ' 51' ' ' ASP . 7.3 p -119.14 -33.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.437 ' OG1' ' HB ' ' A' ' 60' ' ' VAL . 12.2 t -134.65 -176.93 4.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.316 0.579 . . . . 0.0 112.11 -172.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.477 ' O ' HG11 ' A' ' 60' ' ' VAL . 29.9 t30 -138.97 142.48 38.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.136 -174.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.618 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 25.5 ttp180 -47.07 -54.83 9.47 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -172.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -64.57 -43.1 94.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.947 0.403 . . . . 0.0 110.968 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.16 -50.28 64.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.245 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 50' ' ' ILE . 14.4 p -70.02 -33.58 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.382 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.618 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 7.3 tm-20 -55.87 -43.48 77.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.141 0.576 . . . . 0.0 109.81 174.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.56 -43.62 89.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.624 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.56 90.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.08 -41.31 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.28 174.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.62 -42.11 74.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.699 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -59.76 -35.09 73.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.031 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.18 -29.58 69.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.221 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.47 -26.75 30.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.81 0.338 . . . . 0.0 110.709 175.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.02 178.326 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.472 ' HB ' ' HG2' ' A' ' 49' ' ' LYS . 6.4 m . . . . . 0 N--CA 1.449 -0.52 0 CA-C-O 121.288 0.566 . . . . 0.0 111.766 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -124.7 120.74 32.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.466 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 m -89.76 111.17 22.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.069 0.462 . . . . 0.0 110.542 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.8 mt -88.05 131.57 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.289 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 53.1 ttp180 -93.78 107.36 19.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.032 0.444 . . . . 0.0 109.908 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -96.14 132.24 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.446 -176.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -79.82 108.84 13.7 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 83.7 mt -78.43 139.93 59.92 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.309 -175.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -57.72 134.65 64.29 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.373 2.048 . . . . 0.0 110.278 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.4 -25.58 66.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.665 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -80.91 -31.7 35.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.767 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.98 133.73 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.064 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.38 142.37 31.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.056 0.455 . . . . 0.0 111.186 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.34 90.22 7.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.872 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -141.74 -173.72 3.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -174.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.42 -30.0 71.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.565 0.222 . . . . 0.0 111.006 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.81 96.72 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.145 0.498 . . . . 0.0 110.315 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.57 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.4 tt -60.65 -44.72 96.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.772 174.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HA ' HG12 ' A' ' 37' ' ' VAL . 82.3 tttt -58.07 -53.23 60.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.539 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.48 -36.56 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -173.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -68.56 -35.34 77.27 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.449 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 32.1 mt -76.12 -30.66 58.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.692 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.77 -12.22 33.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.448 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -93.7 10.97 30.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.83 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.569 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 21.1 m -89.83 141.56 28.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.038 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.4 110.71 3.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.958 0.409 . . . . 0.0 111.168 -175.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.77 6.6 28.39 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.636 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.569 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 33.2 m -78.38 144.64 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.998 0.427 . . . . 0.0 110.851 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -114.77 -34.37 5.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.237 173.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -169.53 140.89 2.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.925 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 25' ' ' LYS . 90.1 t -118.92 121.34 66.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.179 0.514 . . . . 0.0 110.598 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 6.7 mp -105.51 140.41 38.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.955 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -103.98 131.29 53.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.074 174.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.26 85.5 2.24 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 170.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -62.07 -42.44 99.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.71 -169.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -66.19 -28.61 68.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.695 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.66 -15.46 30.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.039 0.447 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.435 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 4.1 t60 60.9 39.17 17.12 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.357 -174.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.404 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.4 t -139.02 160.52 39.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.965 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -120.0 149.77 41.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.075 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.577 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 90.3 m-85 -116.56 103.7 10.67 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 172.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.46 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 61.5 t -97.86 109.26 23.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.424 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HG2' ' HB ' ' A' ' 7' ' ' VAL . 15.7 ttmm -80.08 116.5 20.23 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.452 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.513 HG23 HG12 ' A' ' 60' ' ' VAL . 5.5 pt -106.05 169.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.697 0.76 . . . . 0.0 112.386 -176.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.46 ' HB3' HG11 ' A' ' 54' ' ' VAL . 11.5 t70 -99.21 96.76 7.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.355 172.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.592 ' HA ' ' O ' ' A' ' 55' ' ' THR . 60.7 p -66.44 -6.31 14.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -172.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HB3' ' HZ2' ' A' ' 53' ' ' LYS . 2.1 mmmp? -80.95 -43.13 20.19 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.46 HG11 ' HB3' ' A' ' 51' ' ' ASP . 8.8 p -86.33 -31.35 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.592 ' O ' ' HA ' ' A' ' 52' ' ' SER . 12.7 t -147.51 154.95 41.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.504 0.192 . . . . 0.0 110.632 -174.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -105.3 161.23 14.47 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -46.68 -52.51 13.64 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -52.06 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.464 -167.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 11.5 pt-20 -58.29 -46.92 85.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.187 0.517 . . . . 0.0 111.195 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 50' ' ' ILE . 12.4 p -74.04 -35.35 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.496 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -45.36 78.23 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.26 0.624 . . . . 0.0 109.846 173.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 61.3 tt0 -55.02 -48.83 72.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.321 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.88 90.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.249 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -62.03 -49.47 83.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.462 178.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -66.15 -35.24 79.96 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.263 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 99.0 mt-30 -64.79 -27.86 69.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.911 0.386 . . . . 0.0 111.443 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.24 -21.36 62.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.3 mt -93.16 -32.31 14.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.436 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.417 -178.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.704 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 34.7 m . . . . . 0 N--CA 1.445 -0.691 0 CA-C-O 121.394 0.616 . . . . 0.0 112.226 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 21.4 t -133.95 125.72 28.83 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -87.62 108.45 19.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.217 0.532 . . . . 0.0 110.977 -175.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.4 mt -95.17 129.41 42.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.063 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -95.22 109.26 21.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.749 0.309 . . . . 0.0 110.192 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -103.74 138.27 28.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.578 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -77.87 118.08 19.85 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 24' ' ' LEU . 97.3 mt -80.91 136.56 50.75 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.776 0.322 . . . . 0.0 111.274 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -63.26 151.01 86.98 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.892 2.395 . . . . 0.0 111.384 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.62 -24.53 56.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.061 0.457 . . . . 0.0 110.819 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.04 -29.37 31.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.781 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -86.4 131.98 33.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.86 131.08 38.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.159 0.505 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.64 91.38 6.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.45 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -164.61 -166.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.69 -29.51 53.22 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.615 0.245 . . . . 0.0 111.488 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.09 93.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.13 0.49 . . . . 0.0 110.887 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' CD1' HG23 ' A' ' 14' ' ' ILE . 9.3 tt -66.44 -38.74 88.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.482 0.658 . . . . 0.0 109.538 175.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 79.7 tttt -60.0 -53.12 61.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.983 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.13 -35.83 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -174.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -67.15 -39.82 86.6 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.426 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.2 mt -76.07 -29.75 58.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.253 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.21 -21.61 59.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.605 0.24 . . . . 0.0 111.462 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.06 14.68 5.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.393 . . . . 0.0 111.502 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.447 ' HB ' HG23 ' A' ' 34' ' ' VAL . 30.9 m -98.65 136.91 38.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.15 117.24 6.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.785 -173.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.63 3.21 43.44 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.529 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.447 HG23 ' HB ' ' A' ' 31' ' ' THR . 69.3 t -83.52 130.23 36.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 117.172 0.486 . . . . 0.0 111.122 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -96.25 -41.23 8.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.055 175.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -165.63 140.73 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.328 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.5 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 58.9 t -114.89 122.25 68.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.483 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 8.6 mp -103.38 140.36 37.55 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.789 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.93 127.31 64.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 173.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.69 91.65 3.64 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.668 173.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -17.94 63.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.824 0.345 . . . . 0.0 110.692 -177.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.84 -40.03 91.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.467 0.651 . . . . 0.0 109.79 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -103.82 -3.56 24.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.546 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.9 t60 51.2 42.28 28.66 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.62 -172.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.431 ' HA ' HG13 ' A' ' 14' ' ' ILE . 19.8 m -139.4 158.56 43.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.849 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.65 140.45 40.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.496 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 67.4 m-85 -106.88 102.79 12.13 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 169.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.462 HG13 HG21 ' A' ' 37' ' ' VAL . 28.6 t -96.54 112.11 28.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.951 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 8' ' ' SER . 63.0 mttm -84.09 116.91 23.11 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.704 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 33.7 pt -104.51 166.26 3.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.365 0.602 . . . . 0.0 111.15 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' HB3' HG11 ' A' ' 54' ' ' VAL . 14.1 t70 -92.39 102.98 15.46 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.635 174.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 m -69.24 -1.89 9.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.926 -172.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.529 ' CE ' ' HA ' ' A' ' 53' ' ' LYS . 5.3 mmpt? -89.08 -34.6 16.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.653 0.264 . . . . 0.0 110.887 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -96.08 -32.91 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.652 -177.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 t -141.84 169.58 17.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.669 0.271 . . . . 0.0 110.849 -173.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.415 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -121.04 154.79 35.61 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.726 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 23.5 ttp180 -46.97 -54.41 10.18 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -175.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.94 -42.07 97.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.709 0.231 . . . . 0.0 111.403 -168.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 11.5 pt-20 -69.54 -45.67 68.26 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.386 0.613 . . . . 0.0 110.938 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 50' ' ' ILE . 13.9 p -73.42 -33.91 41.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.023 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 1.9 tm-20 -56.26 -44.41 79.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.865 174.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 36.2 tt0 -55.9 -47.85 76.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.338 174.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.51 80.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.374 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.504 HD11 HG21 ' A' ' 60' ' ' VAL . 0.7 OUTLIER -65.08 -47.68 86.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.469 178.343 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -63.5 -34.78 78.53 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.224 -179.031 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -65.43 -34.17 77.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.598 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.63 64.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.0 0.428 . . . . 0.0 110.191 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.8 mt -91.0 -24.68 20.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.258 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.447 177.484 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 26.7 m . . . . . 0 N--CA 1.448 -0.56 0 CA-C-O 121.478 0.656 . . . . 0.0 112.105 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -109.72 122.65 47.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 p -88.01 98.3 11.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.856 0.36 . . . . 0.0 111.123 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 11.2 mt -79.03 125.95 30.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.973 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -82.75 98.88 9.32 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 174.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.8 mm -89.95 133.57 31.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.182 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.59 119.24 20.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.152 0.501 . . . . 0.0 110.361 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.404 ' HB ' ' CD2' ' A' ' 44' ' ' HIS . 57.2 mt -73.03 139.64 79.83 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.581 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HD3' HD13 ' A' ' 68' ' ' LEU . 23.5 Cg_exo -58.24 158.05 23.68 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.901 2.4 . . . . 0.0 111.557 174.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.26 90.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.63 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -87.17 -20.22 27.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.195 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mp -82.35 138.52 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.696 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.52 145.89 24.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.037 0.446 . . . . 0.0 111.149 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.71 90.99 4.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.753 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -161.27 -176.7 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.049 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 43.8 tt0 -58.32 -28.13 64.77 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -175.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.77 81.14 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.118 0.485 . . . . 0.0 110.684 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.6 tt -64.52 -40.79 96.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.437 175.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 77.9 tttt -59.66 -53.13 61.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.191 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.17 -33.12 61.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -74.54 -35.0 63.1 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.841 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.9 mt -75.5 -28.74 59.29 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.277 -0.264 . . . . 0.0 110.906 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.33 -10.49 11.3 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.72 0.295 . . . . 0.0 111.568 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -90.93 19.76 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.161 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 34' ' ' VAL . 19.7 m -106.74 143.95 34.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.67 0.272 . . . . 0.0 110.935 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.95 112.39 4.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.637 0.256 . . . . 0.0 110.459 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.401 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 110.28 -2.67 29.67 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.315 176.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 31' ' ' THR . 22.5 m -79.49 132.33 32.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 117.416 0.608 . . . . 0.0 111.21 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.48 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 66.1 mmtt -103.84 -34.94 8.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.319 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -168.32 140.69 2.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.391 -174.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.502 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 60.3 t -119.77 121.42 66.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.134 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.426 ' C ' HD21 ' A' ' 38' ' ' LEU . 9.8 tt -110.78 114.41 27.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.276 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.22 131.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.188 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.66 84.32 2.04 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.52 -41.93 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.715 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.99 -39.64 78.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 111.396 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.48 -1.74 57.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.403 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.404 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 22.1 t60 52.58 39.4 28.05 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 122.02 0.914 . . . . 0.0 108.813 -171.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.6 m -134.12 175.04 9.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.844 -176.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -145.91 127.86 15.48 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.586 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 33.6 m-85 -87.61 104.78 16.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.405 0.621 . . . . 0.0 110.614 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.7 t -94.49 114.79 31.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.071 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.483 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 92.5 mttt -81.09 122.0 26.8 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.869 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 1.3 pt -104.14 147.44 10.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.603 -175.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.48 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 21.7 t70 -85.41 99.51 11.24 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.596 171.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 m -67.29 0.8 2.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.967 -174.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' HB3' ' HZ3' ' A' ' 53' ' ' LYS . 3.2 mmmp? -88.47 -43.93 11.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.702 0.287 . . . . 0.0 110.476 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 51' ' ' ASP . 9.7 p -93.32 -26.83 4.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.685 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.493 ' OG1' ' HB ' ' A' ' 60' ' ' VAL . 14.8 t -142.63 169.04 18.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.733 0.301 . . . . 0.0 110.986 -174.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.437 ' O ' HG11 ' A' ' 60' ' ' VAL . 29.6 m-80 -123.68 163.75 20.47 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 12.2 ttm180 -46.53 -52.37 13.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.747 0.654 . . . . 0.0 112.577 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -70.4 -48.2 57.26 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.47 -167.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.47 -43.3 90.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.08 0.467 . . . . 0.0 111.13 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.517 ' O ' HD11 ' A' ' 64' ' ' ILE . 7.3 p -69.89 -38.79 76.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.985 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.661 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 2.6 tm-20 -53.23 -44.72 68.29 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.271 0.629 . . . . 0.0 109.593 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.402 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 47.1 tt0 -55.81 -49.15 74.02 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.2 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.84 78.97 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.056 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.517 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.76 -49.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.332 177.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' HD3' ' HG3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -64.65 -31.97 73.43 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.64 -179.065 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.452 ' HG3' ' HD3' ' A' ' 65' ' ' ARG . 29.4 mt-30 -65.65 -33.17 75.28 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.659 0.266 . . . . 0.0 111.418 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.4 65.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.091 0.472 . . . . 0.0 110.663 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.426 HD13 ' HD3' ' A' ' 15' ' ' PRO . 38.1 mt -98.68 -23.47 15.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.801 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.011 -177.582 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.65 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 30.4 m . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.414 ' HB2' HG12 ' A' ' 50' ' ' ILE . 13.3 m -135.39 117.56 15.49 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 167.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -82.44 98.98 9.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.857 0.361 . . . . 0.0 110.984 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.0 mt -87.82 137.18 32.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.814 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -103.48 101.52 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.9 0.381 . . . . 0.0 110.088 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -91.43 138.16 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.951 -178.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.59 108.77 16.22 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 15' ' ' PRO . 79.5 mt -66.65 140.05 96.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.78 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.409 ' N ' HG21 ' A' ' 14' ' ' ILE . 13.6 Cg_exo -62.12 150.44 86.65 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.609 2.206 . . . . 0.0 110.754 173.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.67 57.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.872 0.368 . . . . 0.0 111.283 -177.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.77 -30.59 20.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.419 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -80.49 134.17 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.934 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.65 138.73 41.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.251 0.548 . . . . 0.0 111.473 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.53 92.73 9.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.878 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -159.79 -174.56 4.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.811 -176.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 45.0 tt0 -59.28 -28.73 67.01 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.608 0.242 . . . . 0.0 111.261 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.45 85.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.073 0.463 . . . . 0.0 110.606 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.46 -39.73 94.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.299 0.571 . . . . 0.0 109.657 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HE3' ' OE2' ' A' ' 36' ' ' GLU . 78.3 tttt -61.21 -53.43 56.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.0 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 m -64.88 -32.34 57.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.008 -174.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 8.7 ptp180 -71.21 -37.76 72.07 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.3 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 28' ' ' LEU . 85.2 mt -77.12 -28.55 54.42 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.629 0.252 . . . . 0.0 111.139 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.435 HD12 ' HE2' ' A' ' 25' ' ' LYS . 25.7 mt -63.2 -4.71 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.506 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.68 19.38 12.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.625 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.601 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 15.1 m -98.23 143.65 28.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.69 115.71 11.2 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.077 0.465 . . . . 0.0 109.899 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 102.34 21.86 10.33 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.611 177.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.601 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 31.2 m -88.2 144.43 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.192 0.52 . . . . 0.0 111.433 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -114.89 -44.5 3.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.684 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.551 ' OE2' ' HE3' ' A' ' 25' ' ' LYS . 9.9 tp10 -161.21 146.92 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.037 -174.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.512 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 67.5 t -127.78 112.3 27.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 177.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' HD21 ' A' ' 38' ' ' LEU . 10.5 tt -106.45 121.64 44.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.61 121.61 37.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.014 0.435 . . . . 0.0 109.903 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.62 94.77 5.0 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.312 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -22.07 62.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.957 0.408 . . . . 0.0 110.908 -176.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.53 -18.67 65.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.128 0.49 . . . . 0.0 110.294 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -111.32 -12.03 14.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.136 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.406 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 42.7 t60 48.66 41.95 18.57 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.74 -165.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -135.81 160.76 37.56 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.163 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -112.58 122.49 47.84 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.322 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.615 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 41.7 m-85 -89.06 101.72 14.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.558 0.694 . . . . 0.0 109.133 171.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.462 HG13 HG21 ' A' ' 37' ' ' VAL . 27.4 t -100.46 109.8 25.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.509 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 84.3 mttt -84.94 118.3 24.46 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.65 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 45.5 pt -104.22 169.01 2.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.761 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' OD1' ' HB2' ' A' ' 53' ' ' LYS . 15.4 t70 -97.95 103.8 15.77 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.244 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.9 t -66.05 -12.82 57.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.724 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 12.3 mmmm -76.57 -39.89 51.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.99 0.424 . . . . 0.0 110.582 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.472 HG11 ' HB3' ' A' ' 51' ' ' ASP . 10.3 p -99.81 -28.37 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.406 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 14.5 t -141.85 177.92 7.86 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.028 0.442 . . . . 0.0 111.74 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -132.28 146.35 51.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.841 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.583 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 41.0 ttp180 -46.4 -55.19 7.73 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -172.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -66.75 -41.74 87.31 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.793 -172.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.4 -52.62 62.87 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.562 0.696 . . . . 0.0 110.723 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.501 HG12 HG23 ' A' ' 50' ' ' ILE . 12.8 p -69.91 -35.21 63.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.75 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.583 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.2 tm-20 -53.86 -45.59 71.01 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.14 0.576 . . . . 0.0 109.888 174.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 62.3 tt0 -59.42 -43.04 93.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.234 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.02 96.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.134 0.492 . . . . 0.0 110.765 175.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.492 HD11 HG21 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -60.56 -49.36 84.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.695 178.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.52 ' HD3' ' N ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -61.4 -36.08 79.31 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.332 -178.54 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.52 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 28.5 mt-30 -62.08 -35.0 77.34 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -21.75 66.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.889 0.376 . . . . 0.0 110.955 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.4 mt -98.75 -24.44 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.966 -175.729 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.675 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 19.6 m . . . . . 0 N--CA 1.448 -0.575 0 CA-C-O 121.498 0.666 . . . . 0.0 111.957 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 t -130.2 127.34 39.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -87.26 114.7 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.533 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.3 mt -94.23 134.22 36.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.64 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 11' ' ' ARG . 43.0 ttm180 -97.22 100.22 11.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 mm -90.93 127.09 43.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.336 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.04 118.26 18.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.27 0.557 . . . . 0.0 109.724 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.402 HG13 ' HA ' ' A' ' 45' ' ' SER . 75.8 mt -87.68 140.54 31.56 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.169 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.447 ' HD3' HD13 ' A' ' 68' ' ' LEU . 13.4 Cg_exo -60.06 141.52 96.46 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.439 2.093 . . . . 0.0 110.638 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.68 -27.02 67.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.988 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -77.68 -40.06 42.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.633 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.45 126.1 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.006 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.43 137.78 46.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.122 0.487 . . . . 0.0 111.257 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . . . -85.26 99.18 10.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.72 175.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -155.86 -169.61 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.831 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.69 -30.61 70.85 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -40.76 86.57 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.337 0.589 . . . . 0.0 110.73 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.642 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.2 tt -62.04 -45.45 93.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.402 174.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 81.6 tttt -58.06 -53.55 57.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.686 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -66.38 -33.21 61.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 20.6 ptp180 -73.17 -34.86 66.27 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.301 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.2 mt -74.21 -29.85 61.92 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.623 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.62 -8.62 14.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.733 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -98.15 11.05 39.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.574 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 7.0 m -93.25 145.3 24.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.196 -0.315 . . . . 0.0 110.177 -175.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.19 117.66 8.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.864 0.364 . . . . 0.0 111.458 -174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.39 6.46 55.19 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.702 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 28' ' ' LEU . 23.1 m -78.86 138.34 20.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.071 0.463 . . . . 0.0 110.679 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -115.12 -28.77 6.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.209 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 49' ' ' LYS . 9.4 tt0 -169.93 143.38 2.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.196 -175.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.424 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 86.4 t -127.81 125.18 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.795 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.17 140.56 42.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.501 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.02 127.77 53.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.36 86.82 2.63 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.41 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.13 -25.7 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.652 -174.027 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.89 -27.03 64.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.025 0.441 . . . . 0.0 110.147 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -98.82 -6.45 29.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.405 0.621 . . . . 0.0 109.672 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.2 t60 47.8 41.34 14.04 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.639 -170.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.402 ' HA ' HG13 ' A' ' 14' ' ' ILE . 42.1 m -141.23 164.09 31.2 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.203 -176.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.81 142.02 39.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.183 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.551 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 67.4 m-85 -106.91 103.54 13.0 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 171.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.1 t -98.61 122.61 50.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.893 -175.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 28.1 mmtp -83.33 109.46 17.3 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.641 176.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.675 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 32.4 pt -105.35 161.34 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 CA-C-O 121.503 0.668 . . . . 0.0 111.387 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' HB3' HG11 ' A' ' 54' ' ' VAL . 14.5 t70 -96.37 104.72 16.71 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.613 173.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 m -69.78 -2.33 11.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -172.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -89.13 -41.74 12.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.796 0.332 . . . . 0.0 110.447 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 51' ' ' ASP . 8.3 p -91.09 -26.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.763 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 t -137.31 179.45 6.39 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.285 0.564 . . . . 0.0 111.455 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -136.49 145.03 44.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.826 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.575 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 38.3 ttp180 -45.74 -54.31 8.1 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -173.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.94 -42.74 89.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.096 0.407 . . . . 0.0 111.033 -174.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.75 -52.83 63.44 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.521 0.677 . . . . 0.0 110.976 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.534 ' O ' HD11 ' A' ' 64' ' ' ILE . 14.4 p -70.85 -35.62 60.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.341 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.575 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 7.5 tm-20 -56.37 -45.81 80.34 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 7.3 tp60 -54.59 -44.86 73.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.193 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.48 92.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.735 0.302 . . . . 0.0 110.948 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.534 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.25 -48.77 87.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.71 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.52 ' HD2' ' OE1' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.39 -31.68 72.91 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.342 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 48.2 mt-30 -65.69 -30.5 71.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.741 0.305 . . . . 0.0 111.47 175.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.93 -21.25 66.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.343 0.592 . . . . 0.0 110.184 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.447 HD13 ' HD3' ' A' ' 15' ' ' PRO . 50.4 mt -91.91 -33.52 14.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.38 175.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 66' ' ' GLN . 72.5 mm-40 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.699 -0.667 . . . . 0.0 111.421 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.575 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 20.9 m . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 121.054 0.454 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -123.42 120.15 32.13 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -79.96 105.62 11.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.003 0.43 . . . . 0.0 110.977 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mt -92.66 129.36 38.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -91.81 107.22 19.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mm -90.58 124.07 43.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -76.73 108.32 9.66 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.414 HG13 ' HA ' ' A' ' 45' ' ' SER . 85.5 mt -78.99 140.2 57.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.412 -171.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -59.9 150.94 75.0 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.694 2.263 . . . . 0.0 110.988 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.35 -31.67 64.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.211 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -77.72 -37.16 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.644 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.83 133.17 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.901 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.23 135.01 35.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.099 0.476 . . . . 0.0 111.112 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . . . -85.69 91.9 8.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.933 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -152.54 -172.77 4.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.289 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 36.6 tt0 -57.58 -30.27 65.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.66 82.73 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.168 0.509 . . . . 0.0 110.682 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.579 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.4 tt -65.6 -39.1 91.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 80.1 tttt -61.67 -52.98 62.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.845 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.3 m -64.0 -32.9 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -72.66 -38.08 67.75 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.527 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 29.8 mt -73.94 -29.77 62.2 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.482 0.182 . . . . 0.0 111.073 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.4 HD12 ' HE2' ' A' ' 25' ' ' LYS . 17.4 mt -64.69 -4.9 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -98.03 5.66 48.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.644 0.259 . . . . 0.0 111.082 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.583 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 21.6 m -85.2 144.71 27.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.774 0.321 . . . . 0.0 110.376 -174.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.98 109.13 2.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.901 0.382 . . . . 0.0 111.454 -176.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.08 24.17 7.75 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.583 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 27.2 m -91.53 138.09 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.279 0.561 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -113.12 -36.85 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.994 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -168.23 142.49 3.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.58 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.505 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 94.2 t -129.68 121.72 53.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.08 0.467 . . . . 0.0 110.56 -178.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 11.0 mp -109.37 133.35 53.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.05 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -94.75 128.32 46.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 171.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.43 87.62 2.7 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.554 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 1.3 tm-20 -64.96 -26.92 68.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.874 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.82 -34.03 73.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.704 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -100.07 -7.2 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.857 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.9 t60 50.45 40.34 22.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.644 -169.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.414 ' HA ' HG13 ' A' ' 14' ' ' ILE . 18.4 m -137.73 159.4 42.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.674 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.97 133.54 53.07 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.49 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 62.0 m-85 -99.99 102.8 14.27 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.351 174.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -101.24 111.79 32.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.046 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -80.3 118.9 22.37 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 42.7 pt -104.15 168.14 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.756 0 CA-C-O 121.42 0.629 . . . . 0.0 111.599 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.531 ' OD2' ' HB2' ' A' ' 53' ' ' LYS . 33.2 t70 -96.03 104.32 16.26 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.211 -1.359 . . . . 0.0 109.5 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -71.79 3.43 4.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.189 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.531 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 11.6 mmmm -88.66 -47.31 8.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.912 0.387 . . . . 0.0 110.568 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -91.31 -35.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.422 ' HG1' ' HB ' ' A' ' 60' ' ' VAL . 15.2 t -136.18 170.35 16.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.009 0.433 . . . . 0.0 111.58 -170.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -118.24 159.19 23.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.486 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 55.8 ttp180 -47.19 -52.7 15.04 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -175.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -76.28 -39.19 54.9 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.003 -167.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.74 -49.96 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.308 0.575 . . . . 0.0 110.276 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.492 ' O ' HD11 ' A' ' 64' ' ' ILE . 13.1 p -71.82 -36.59 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.642 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.577 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 5.1 tm-20 -58.3 -46.74 85.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.874 0.369 . . . . 0.0 110.007 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.93 -39.77 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.384 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.26 93.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.563 176.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.25 -42.56 93.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.009 173.56 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -56.73 -42.08 78.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.409 176.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.17 -33.86 74.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.155 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.09 -21.76 64.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.848 0.356 . . . . 0.0 111.21 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.91 -19.85 22.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.273 173.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.745 -179.622 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.7 m . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 121.442 0.639 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -82.38 105.04 13.12 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -77.74 109.77 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.998 0.427 . . . . 0.0 110.771 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.657 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 5.6 mt -85.79 157.51 20.22 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -122.15 98.78 6.09 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.2 mm -89.8 133.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.484 -173.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -76.68 110.23 11.09 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.416 ' HB ' ' CD2' ' A' ' 44' ' ' HIS . 63.6 mt -69.44 136.93 88.54 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.316 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.465 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.2 Cg_exo -57.64 152.32 49.36 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.632 2.221 . . . . 0.0 111.017 175.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.11 77.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.303 0.573 . . . . 0.0 111.027 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -86.39 -36.94 18.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.006 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.22 132.19 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.79 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.43 142.9 38.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.232 0.539 . . . . 0.0 111.69 -176.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.29 86.9 7.14 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.036 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -155.0 -168.16 2.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.567 -174.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.78 -27.99 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.536 0.208 . . . . 0.0 111.005 -177.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.46 88.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.17 0.51 . . . . 0.0 110.562 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.2 tt -66.29 -42.4 88.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.63 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -58.49 -53.36 59.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.342 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.3 -32.11 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 -173.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -69.4 -38.9 78.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.116 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 32.4 mt -76.13 -29.58 57.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.965 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.3 -12.63 14.36 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.714 0.293 . . . . 0.0 111.547 176.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -96.86 12.81 30.86 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.688 ' O ' HG21 ' A' ' 34' ' ' VAL . 22.1 m -95.84 143.09 27.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -63.94 111.76 2.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.889 0.376 . . . . 0.0 111.684 -174.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 106.36 1.05 37.93 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.205 175.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.688 HG21 ' O ' ' A' ' 31' ' ' THR . 28.4 m -78.33 129.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 117.304 0.552 . . . . 0.0 111.016 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -105.56 -25.31 12.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -169.49 142.22 2.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.041 -172.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.5 t -131.62 114.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 7.9 tt -113.46 117.09 30.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.49 -175.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.0 123.26 33.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.169 0.509 . . . . 0.0 110.473 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.48 95.79 5.79 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -31.13 65.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.08 -172.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.25 -43.13 99.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.55 -18.1 58.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.761 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 29.9 t60 53.08 41.79 32.17 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -167.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.9 m -136.68 163.49 30.46 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.478 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.439 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -115.67 125.31 52.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.419 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.657 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 70.7 m-85 -89.28 103.06 15.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.495 0.664 . . . . 0.0 109.342 173.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 54.9 t -104.86 109.47 27.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.807 -177.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.464 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 90.9 mttt -83.99 118.86 24.31 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 2.2 pt -105.28 162.4 4.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-O 121.57 0.7 . . . . 0.0 110.858 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.451 ' HB3' HG11 ' A' ' 54' ' ' VAL . 19.7 t70 -93.13 97.55 10.74 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.619 174.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 55' ' ' THR . 37.1 p -68.24 0.79 3.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.879 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 31.4 mmmt -88.81 -36.1 16.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.252 176.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.451 HG11 ' HB3' ' A' ' 51' ' ' ASP . 8.5 p -95.49 -30.37 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.011 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.403 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 11.3 t -140.69 179.24 6.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 111.021 -175.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.458 ' O ' HG11 ' A' ' 60' ' ' VAL . 54.6 t30 -128.43 143.91 51.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -178.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.775 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 20.5 ttp180 -45.72 -54.44 7.87 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.511 0.507 . . . . 0.0 111.986 -176.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -47.11 87.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.6 0.238 . . . . 0.0 111.367 -173.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.28 -53.58 50.56 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.393 0.616 . . . . 0.0 111.006 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 50' ' ' ILE . 14.8 p -69.36 -33.9 59.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.533 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.775 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.8 tm-20 -54.4 -48.28 71.77 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.414 0.686 . . . . 0.0 110.241 176.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.56 -37.54 87.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.476 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.73 88.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.585 175.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.516 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.8 OUTLIER -62.74 -43.56 98.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.209 173.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -57.88 -39.46 77.9 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -65.62 -34.2 77.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.342 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.62 -21.79 62.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.457 . . . . 0.0 110.539 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.465 HD13 ' HD3' ' A' ' 15' ' ' PRO . 71.1 mt -88.9 -35.74 16.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.193 174.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.561 178.75 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.596 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.0 m . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 121.533 0.682 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.442 ' HB3' HG12 ' A' ' 50' ' ' ILE . 36.4 t -133.99 111.06 10.1 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 168.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -77.93 114.93 17.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.921 0.391 . . . . 0.0 110.753 -176.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.2 mt -82.44 162.71 22.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.761 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -122.69 97.62 5.54 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -90.79 126.4 43.54 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.464 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 8.0 pt-20 -75.64 113.9 13.61 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 HG13 ' HA ' ' A' ' 45' ' ' SER . 91.5 mt -79.69 141.3 55.72 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.737 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -58.31 143.57 97.16 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.304 2.003 . . . . 0.0 110.855 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -19.63 64.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.11 0.481 . . . . 0.0 110.973 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -83.1 -40.91 19.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.68 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.17 134.93 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.549 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.12 132.9 35.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.12 0.486 . . . . 0.0 110.862 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.01 94.68 6.61 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.257 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -157.28 -171.1 3.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.706 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.22 -30.47 66.52 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.11 89.95 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.232 0.539 . . . . 0.0 110.477 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.1 tt -62.74 -39.96 95.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.617 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 77.0 tttt -60.83 -53.3 58.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.364 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.87 -34.96 73.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -70.65 -38.64 73.85 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.702 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.6 mt -73.62 -30.02 62.72 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.577 0.227 . . . . 0.0 110.934 177.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.416 HD12 ' HE2' ' A' ' 25' ' ' LYS . 23.5 mt -60.47 -23.66 64.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.612 0.244 . . . . 0.0 111.105 175.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -85.56 13.86 6.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.768 0.318 . . . . 0.0 111.475 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.422 ' HB ' HG23 ' A' ' 34' ' ' VAL . 42.6 m -98.26 135.71 39.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.63 115.95 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.556 -173.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 106.4 -2.9 37.13 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.694 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.422 HG23 ' HB ' ' A' ' 31' ' ' THR . 59.3 t -78.86 122.41 33.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.839 0.352 . . . . 0.0 111.363 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -94.22 -31.35 14.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.594 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -168.14 146.23 4.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.985 -174.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.517 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 96.0 t -130.0 113.67 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.062 0.458 . . . . 0.0 109.784 178.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 7.2 tt -106.83 119.07 38.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.046 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.03 118.55 27.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.078 0.466 . . . . 0.0 110.06 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.35 87.93 3.76 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 172.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.64 -33.66 76.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.87 -172.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.23 -23.44 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.046 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -101.18 -13.41 18.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.412 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.1 t60 55.71 39.75 30.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.921 -171.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.4 ' HA ' HG13 ' A' ' 14' ' ' ILE . 28.3 t -142.76 159.92 41.32 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.648 -174.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.63 127.75 55.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.852 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.649 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 15.0 m-85 -91.85 103.17 15.75 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.2 t -105.13 111.44 34.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.565 -174.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -79.87 121.78 25.85 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.071 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 26.6 pt -104.69 149.97 7.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.639 -178.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.469 ' HB3' HG11 ' A' ' 54' ' ' VAL . 13.6 t70 -86.3 106.25 17.23 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.692 171.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -68.13 -4.83 15.01 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -173.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -89.18 -39.18 13.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.57 0.224 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 51' ' ' ASP . 12.3 p -92.63 -30.87 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.587 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.406 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 11.8 t -139.08 -174.93 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.162 0.506 . . . . 0.0 111.673 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -141.67 151.18 42.79 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.74 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 4.7 ttp180 -47.48 -55.52 8.91 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -62.12 -41.49 98.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 -173.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -65.44 -53.54 41.48 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.452 0.644 . . . . 0.0 110.953 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.514 ' O ' HD11 ' A' ' 64' ' ' ILE . 14.1 p -69.68 -35.47 65.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.067 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.74 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -54.8 -45.01 74.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.53 0.732 . . . . 0.0 109.911 175.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.614 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 7.9 tt0 -56.77 -48.72 77.23 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.092 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.73 79.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.31 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -63.62 -48.44 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.594 178.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.1 ppt_? -64.29 -35.73 81.78 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 120.421 -0.511 . . . . 0.0 111.427 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -64.76 -33.47 76.06 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.565 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.01 -21.83 65.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.138 0.494 . . . . 0.0 110.562 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.7 mt -94.24 -29.11 15.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.476 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.704 -178.45 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.617 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 20.6 m . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 121.114 0.483 . . . . 0.0 111.604 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.466 ' HB2' HG12 ' A' ' 50' ' ' ILE . 10.4 m -124.44 116.68 22.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 167.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 m -81.45 100.61 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.178 0.513 . . . . 0.0 110.905 -177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.6 mt -79.65 149.47 31.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.825 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -112.14 99.76 8.31 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mm -90.17 134.11 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.026 -174.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -84.72 108.9 17.66 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.451 ' HB ' ' CD2' ' A' ' 44' ' ' HIS . 66.5 mt -65.81 139.66 96.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.198 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HB2' HD11 ' A' ' 18' ' ' ILE . 25.2 Cg_exo -56.7 145.64 81.24 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.64 2.227 . . . . 0.0 110.821 176.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.55 -23.96 66.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.626 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -89.18 -32.31 17.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.101 0.476 . . . . 0.0 110.944 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 15' ' ' PRO . 1.5 mp -77.43 134.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.964 -177.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.07 142.73 30.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.088 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.27 96.7 2.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.96 -177.23 6.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.402 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.39 -25.76 66.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.373 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.45 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.111 0.481 . . . . 0.0 110.425 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.1 tt -59.39 -45.33 91.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.623 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 81.4 tttt -61.54 -48.12 82.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.548 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.2 m -64.99 -32.18 57.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.405 -176.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -64.58 -53.12 52.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.117 0.484 . . . . 0.0 110.125 173.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.716 ' O ' HG12 ' A' ' 34' ' ' VAL . 19.0 mt -68.73 -29.48 67.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.622 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.9 -6.96 13.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 111.465 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -106.84 17.02 23.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.21 175.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.54 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 82.6 m -92.08 143.49 26.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.796 0.331 . . . . 0.0 110.318 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.29 107.43 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 111.801 -174.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.34 10.93 28.53 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.947 -0.569 . . . . 0.0 113.111 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 28' ' ' LEU . 32.7 m -80.27 145.23 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.964 0.411 . . . . 0.0 111.126 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 32.2 mmmt -117.02 -31.92 5.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.065 173.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -169.42 141.23 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.178 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.506 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 97.9 t -120.6 130.01 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.361 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 6.5 mp -116.18 141.2 48.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.721 178.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -99.98 133.2 43.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 120.939 0.399 . . . . 0.0 110.288 175.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.28 82.92 1.92 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.413 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 27.6 mt-10 -58.61 -38.27 77.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.619 -176.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.24 -38.37 90.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.747 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -88.94 -8.13 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.102 0.477 . . . . 0.0 110.765 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.451 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 9.8 t60 55.04 42.55 30.84 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.6 -171.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -135.43 175.86 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.559 -172.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.81 136.28 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.93 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.609 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 65.8 m-85 -103.32 104.93 15.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.218 0.532 . . . . 0.0 109.996 174.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.7 t -105.16 113.21 41.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -83.66 122.48 28.67 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.928 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 5.5 pt -105.5 156.45 6.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.776 -175.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' HB2' ' HD3' ' A' ' 35' ' ' LYS . 34.1 t70 -87.2 99.09 11.69 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.7 p -68.21 1.34 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.13 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 9.3 mmpt? -88.49 -39.14 14.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.84 -27.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.463 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 t -144.02 176.73 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.707 0.289 . . . . 0.0 110.856 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' HG11 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -127.29 162.87 25.21 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 173.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.637 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 37.6 ttp180 -46.32 -53.37 10.96 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -175.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.27 -43.69 77.23 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.183 -171.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.73 -52.56 64.59 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.987 0.423 . . . . 0.0 111.036 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.507 ' O ' HD11 ' A' ' 64' ' ' ILE . 14.0 p -67.94 -36.43 75.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.417 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.637 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 6.7 tm-20 -57.35 -47.92 80.36 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.808 0.443 . . . . 0.0 110.174 177.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 35.9 tt0 -57.71 -40.93 80.68 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.244 177.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.81 87.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.661 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.507 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -62.08 -50.19 81.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.539 178.121 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -62.56 -35.03 78.19 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.141 -179.051 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 27.6 mt-30 -64.21 -36.46 84.15 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.97 -25.84 65.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.32 0.581 . . . . 0.0 110.062 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.18 -41.45 10.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.374 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.638 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.7 m . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.453 ' HB2' HG12 ' A' ' 50' ' ' ILE . 21.8 m -119.29 120.95 38.48 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 164.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 p -85.5 114.8 22.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.031 0.443 . . . . 0.0 111.034 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.653 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 5.2 mt -95.3 144.26 26.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.51 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -104.61 103.74 13.45 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.1 mm -92.43 131.34 39.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.153 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -76.86 112.26 13.27 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.406 ' HB ' ' CD2' ' A' ' 44' ' ' HIS . 74.8 mt -72.68 140.95 81.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -62.06 152.8 73.36 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.471 2.114 . . . . 0.0 110.787 173.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.43 59.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.18 -35.12 56.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.256 0.55 . . . . 0.0 110.328 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.95 133.25 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.082 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.61 136.19 34.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.326 0.584 . . . . 0.0 111.116 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.42 94.28 8.48 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.104 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -159.29 -172.74 3.86 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 41.7 tt0 -56.77 -31.18 64.36 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.67 86.37 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.0 0.429 . . . . 0.0 110.886 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.2 tt -64.89 -41.31 95.72 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 80.7 tttt -59.12 -53.01 63.16 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.098 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.56 -34.77 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -71.51 -37.18 71.24 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.868 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.646 ' O ' HG12 ' A' ' 34' ' ' VAL . 30.6 mt -74.65 -29.05 61.11 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 120.837 0.351 . . . . 0.0 110.752 177.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD12 ' HE2' ' A' ' 25' ' ' LYS . 25.7 mt -65.83 -5.16 8.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 111.257 174.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -97.77 7.87 45.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.047 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.561 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 32.8 m -88.33 143.97 26.69 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 -177.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.47 114.18 4.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 0.0 111.292 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.8 24.13 12.47 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.004 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 28' ' ' LEU . 26.8 m -90.49 134.28 29.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.196 0.522 . . . . 0.0 111.028 178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 71.2 mmtt -106.41 -36.74 6.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.296 174.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -168.74 140.96 2.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.386 -174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.419 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.6 t -123.81 125.8 71.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.998 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.43 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 9.2 tt -118.18 131.55 56.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.818 -178.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -92.44 121.6 43.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.11 0.481 . . . . 0.0 110.003 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.59 83.04 1.8 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.656 175.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -20.4 65.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.785 0.326 . . . . 0.0 110.631 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.0 -29.96 68.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.193 173.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -115.94 0.41 13.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.844 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.406 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 38.7 t60 48.68 40.77 16.51 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.838 0.828 . . . . 0.0 109.389 -170.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -129.88 164.58 23.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.348 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -118.5 131.81 56.23 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.239 178.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 7.7 m-85 -99.49 103.41 15.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.474 0.654 . . . . 0.0 109.542 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.86 114.01 41.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.897 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 91.7 mttt -88.21 122.27 31.56 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.418 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.638 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 10.2 pt -104.44 155.52 5.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.67 -173.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.483 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 36.0 t70 -81.7 99.21 8.8 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 170.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 m -69.05 2.0 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.582 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -88.13 -43.06 11.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.575 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.4 p -89.82 -32.04 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 t -143.95 179.52 7.13 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.055 -174.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -126.99 161.12 29.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 46.9 ttp180 -46.85 -51.54 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -174.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.2 -41.11 64.17 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.998 -167.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -64.37 -48.16 76.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.489 ' O ' HD11 ' A' ' 64' ' ' ILE . 11.2 p -68.16 -37.89 78.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.325 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.535 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -53.35 -46.89 69.71 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.12 0.486 . . . . 0.0 109.777 174.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 8.3 tt0 -54.66 -46.25 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.253 177.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.05 77.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.489 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -65.96 -47.64 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.32 177.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 6.8 ppt_? -65.86 -33.05 74.96 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.235 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.1 mt-30 -68.36 -29.44 68.16 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.49 175.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.91 75.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.183 0.516 . . . . 0.0 109.67 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.8 mt -77.58 -26.65 50.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.482 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.816 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.732 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.9 m . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.31 0.576 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.45 ' HB3' HG12 ' A' ' 50' ' ' ILE . 13.2 t -133.76 112.58 11.48 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 168.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -79.2 100.93 7.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.947 0.403 . . . . 0.0 110.702 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.6 mt -79.5 127.14 31.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.184 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 24.5 ttp180 -87.99 104.58 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -91.76 128.43 43.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.765 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -77.96 108.99 11.62 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 45' ' ' SER . 92.7 mt -73.58 139.95 78.25 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.947 -173.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -59.81 154.11 52.06 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.551 2.168 . . . . 0.0 111.276 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.22 -41.73 73.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.338 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.73 -28.03 44.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.539 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.73 131.89 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.01 131.82 35.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.095 0.474 . . . . 0.0 110.776 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.45 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . . . -79.69 92.29 5.37 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.986 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -154.74 -168.4 2.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.314 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.37 -30.8 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.26 88.92 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.003 0.43 . . . . 0.0 110.857 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.641 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.2 tt -64.25 -41.57 96.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.404 0.621 . . . . 0.0 109.569 175.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 82.6 tttt -60.08 -52.18 66.45 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.241 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.413 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 33.2 m -66.74 -35.78 75.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -173.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -68.78 -35.88 77.6 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.412 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.3 mt -76.26 -30.55 57.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.003 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.61 -20.26 65.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.54 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 8.9 mm-40 -82.69 10.96 6.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 0.0 111.374 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.415 ' HB ' ' CG2' ' A' ' 34' ' ' VAL . 3.2 m -96.7 147.75 23.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.932 0.396 . . . . 0.0 110.59 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.412 ' H ' HG23 ' A' ' 31' ' ' THR . 7.6 tp10 -76.89 119.84 21.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.312 -173.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.0 -10.07 40.18 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.444 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.415 ' CG2' ' HB ' ' A' ' 31' ' ' THR . 97.2 t -71.74 125.85 31.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.384 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -97.79 -32.32 11.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.239 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -170.25 141.02 1.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.455 -177.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.509 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 97.3 t -117.76 128.25 74.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.965 0.412 . . . . 0.0 110.402 178.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 8.9 mp -110.75 140.5 45.1 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.75 128.83 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.15 86.76 2.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.818 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 1.1 mm-40 -63.43 -23.5 67.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 110.595 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.61 -33.67 71.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.481 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -108.73 -7.27 15.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.6 t60 54.4 40.25 31.62 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.625 -171.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.431 ' HA ' HG13 ' A' ' 14' ' ' ILE . 67.7 m -140.67 162.04 36.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.869 -177.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -110.81 147.94 33.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.404 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.5 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 40.5 m-85 -112.76 103.73 11.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.285 0.564 . . . . 0.0 109.621 170.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.8 t -100.01 110.76 27.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.336 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -80.36 120.95 25.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.297 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.732 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 15.8 pt -105.07 149.34 8.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.44 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.449 ' HB3' HG11 ' A' ' 54' ' ' VAL . 22.5 t70 -88.64 107.53 18.97 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 169.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 m -64.9 -11.21 35.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.227 -174.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -83.87 -31.23 25.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.549 0.214 . . . . 0.0 111.198 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 51' ' ' ASP . 10.6 p -105.13 -32.02 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -126.88 176.91 6.94 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.639 -173.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -129.77 141.8 50.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.532 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.588 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 43.2 ttp180 -47.09 -54.04 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.68 -42.92 81.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -173.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.03 -45.91 83.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.329 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.577 ' O ' HD11 ' A' ' 64' ' ' ILE . 7.8 p -70.22 -40.16 77.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 5.6 tm-20 -53.73 -45.18 70.42 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.235 0.614 . . . . 0.0 109.579 174.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 8.4 tt0 -54.58 -49.09 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.291 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.38 90.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.577 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.6 -50.04 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.66 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -63.46 -35.88 81.91 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.236 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.3 mt-30 -63.37 -27.5 69.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.066 0.46 . . . . 0.0 111.263 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 64' ' ' ILE . . . -71.11 -21.81 62.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.724 176.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -94.78 -34.47 12.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.199 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.364 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 18.5 m . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 121.271 0.557 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 t -118.34 122.22 42.33 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -84.23 113.16 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.896 0.379 . . . . 0.0 110.335 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.4 mt -99.6 124.06 44.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.425 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 35.4 ttm180 -84.85 102.66 13.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mm -91.06 126.22 43.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.368 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -76.42 111.86 12.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.054 0.454 . . . . 0.0 109.881 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 45' ' ' SER . 80.0 mt -78.22 142.5 63.59 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.519 -176.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -57.51 144.82 91.18 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.569 2.179 . . . . 0.0 110.659 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.38 -24.0 65.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.269 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.32 -39.88 17.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.563 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.29 132.44 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.275 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.85 134.41 35.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.159 0.504 . . . . 0.0 111.716 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.02 95.5 3.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.632 174.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -159.67 -169.86 2.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.55 -28.77 69.57 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -175.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.9 84.8 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.473 0.654 . . . . 0.0 110.094 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 1.3 tp -63.06 -44.58 95.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.344 174.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HA ' HG12 ' A' ' 37' ' ' VAL . 82.1 tttt -58.14 -52.94 63.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.525 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.0 -32.93 60.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -72.57 -37.02 68.32 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.378 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 39.7 mt -76.1 -29.87 58.07 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.014 178.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' O ' HG21 ' A' ' 34' ' ' VAL . 15.9 mt -64.25 -11.89 35.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 177.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -97.56 14.74 25.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.599 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 19.7 m -89.96 143.83 26.44 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.34 111.81 2.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.411 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.9 14.14 29.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.101 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.599 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 30.1 m -83.09 149.73 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.941 0.401 . . . . 0.0 110.631 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 70.6 mmtt -117.87 -37.63 3.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.413 173.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -168.37 140.92 2.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.499 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 25' ' ' LYS . 99.5 t -118.74 120.53 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.365 0.603 . . . . 0.0 111.325 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.9 mp -100.76 140.88 34.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.837 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -100.1 133.65 42.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.965 0.412 . . . . 0.0 110.071 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.03 81.15 1.94 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.983 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.29 -31.09 70.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.422 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.47 -25.31 67.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.378 0.608 . . . . 0.0 110.466 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -110.81 -2.27 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.345 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 t60 50.78 39.86 23.15 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.608 -171.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' HA ' HG13 ' A' ' 14' ' ' ILE . 67.5 m -138.64 166.88 23.21 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.729 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -114.34 154.94 27.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.393 177.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.515 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 69.8 m-85 -118.23 103.17 9.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.457 0.646 . . . . 0.0 109.784 169.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.8 t -99.84 114.12 37.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.36 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -80.78 119.12 22.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 33.6 pt -105.21 166.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.47 0.652 . . . . 0.0 111.435 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 29.7 t70 -97.36 105.27 17.39 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.657 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -70.7 -0.65 9.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.817 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -87.97 -29.13 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 0.0 110.703 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -109.33 -27.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -139.79 176.84 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.881 -175.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -127.82 142.72 51.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.137 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 34.7 ttp180 -46.04 -54.94 7.58 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -172.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.77 -36.67 80.9 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.067 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -68.44 -52.18 35.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.577 -179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.504 HG21 HD11 ' A' ' 64' ' ' ILE . 14.9 p -66.76 -33.7 65.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.512 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -55.86 -45.43 78.48 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 8.1 tt0 -61.11 -39.12 88.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.669 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.87 90.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.89 0.376 . . . . 0.0 110.652 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.504 HD11 HG21 ' A' ' 60' ' ' VAL . 0.7 OUTLIER -62.98 -47.55 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.296 177.423 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -62.77 -34.19 76.72 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.341 -179.054 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.89 -33.07 75.0 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.806 0.336 . . . . 0.0 111.584 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.26 -21.24 65.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.264 0.554 . . . . 0.0 110.282 175.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.0 mt -93.9 -40.27 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.924 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.789 -178.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.505 HG22 ' HB3' ' A' ' 49' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.445 -0.708 0 CA-C-O 121.333 0.587 . . . . 0.0 112.147 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 m -134.39 124.63 26.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.326 172.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 p -91.92 101.48 14.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.94 0.4 . . . . 0.0 110.803 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.537 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.6 mt -79.99 133.36 36.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.419 -177.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -92.83 106.04 18.07 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.25 132.58 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.108 -178.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 8.0 pt-20 -81.24 108.61 15.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.51 0.672 . . . . 0.0 109.828 175.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 HG13 ' HA ' ' A' ' 45' ' ' SER . 75.8 mt -72.56 137.22 80.58 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.162 -176.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -54.56 142.73 70.73 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.69 2.26 . . . . 0.0 111.341 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.51 -25.0 67.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.72 -29.85 25.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mp -84.14 133.51 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.19 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.68 141.67 32.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.56 95.46 5.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.617 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.68 -175.81 5.6 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.451 -177.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.16 -28.01 69.46 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.88 83.14 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.497 0.665 . . . . 0.0 110.274 177.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.1 tt -61.31 -45.19 95.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.366 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 81.6 tttt -58.49 -52.39 65.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.674 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.46 -34.75 71.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -73.83 -36.11 64.91 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.509 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.672 ' O ' HG12 ' A' ' 34' ' ' VAL . 34.2 mt -73.67 -29.81 62.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.749 0.309 . . . . 0.0 110.403 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.99 -4.88 5.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.721 0.296 . . . . 0.0 111.488 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -105.94 8.69 32.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.149 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.585 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 16.9 m -87.22 144.43 26.82 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.009 0.433 . . . . 0.0 109.962 -177.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.52 110.79 2.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.326 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.52 3.01 35.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.995 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 28' ' ' LEU . 21.9 m -76.6 142.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.289 0.566 . . . . 0.0 110.93 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -113.56 -37.14 4.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.484 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -169.21 140.78 2.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.942 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.446 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 87.7 t -120.59 126.33 75.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.098 0.475 . . . . 0.0 110.925 -177.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.6 mp -109.41 140.76 42.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.15 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -106.42 131.1 57.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.957 0.408 . . . . 0.0 110.298 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.15 89.88 3.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.43 -38.94 85.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.696 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.36 -35.33 80.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.761 0.315 . . . . 0.0 110.948 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -90.0 -7.15 54.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.482 . . . . 0.0 110.382 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 51.75 38.91 24.25 Favored 'General case' 0 C--N 1.335 -0.062 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.678 -172.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.4 ' HA ' HG13 ' A' ' 14' ' ' ILE . 25.3 m -139.76 160.76 39.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.186 -176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.79 149.01 37.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.356 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 94.6 m-85 -113.49 104.13 11.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.216 0.531 . . . . 0.0 109.589 171.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -100.96 113.73 37.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.609 -176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HB3' HG22 ' A' ' 7' ' ' VAL . 79.1 mttt -80.91 121.31 25.83 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.209 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 35.2 pt -105.9 165.27 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.49 0.662 . . . . 0.0 111.549 -178.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' HB3' HG11 ' A' ' 54' ' ' VAL . 18.4 t70 -103.62 100.34 10.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.942 -1.481 . . . . 0.0 108.685 172.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.568 ' HA ' ' O ' ' A' ' 55' ' ' THR . 24.1 p -67.65 -1.45 5.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -173.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 13.1 mmmm -88.96 -37.46 15.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.776 0.322 . . . . 0.0 111.085 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.439 HG11 ' HB3' ' A' ' 51' ' ' ASP . 8.0 p -91.28 -27.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.568 ' O ' ' HA ' ' A' ' 52' ' ' SER . 11.3 t -154.98 157.73 38.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.382 -177.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -102.3 164.43 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 40.7 ttp180 -46.73 -55.44 7.81 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 123.741 0.651 . . . . 0.0 112.726 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.72 -43.03 94.71 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.351 -165.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -63.41 -52.8 60.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 111.36 -177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.543 ' O ' HD11 ' A' ' 64' ' ' ILE . 14.7 p -70.75 -37.36 68.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 34.5 tt0 -57.76 -43.95 85.79 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.386 0.674 . . . . 0.0 110.198 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 29.4 tt0 -58.91 -44.33 91.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.178 176.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.99 96.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.543 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.33 -48.33 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.624 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.7 ppt_? -66.09 -35.54 80.78 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.273 -0.571 . . . . 0.0 111.143 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 28.5 mt-30 -65.47 -32.41 74.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.737 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.3 -22.71 65.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.217 0.532 . . . . 0.0 110.167 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.7 mt -91.0 -31.04 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.469 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.859 -179.408 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 120.981 0.42 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 m -123.94 112.69 17.52 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -82.1 111.77 18.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.092 0.472 . . . . 0.0 109.786 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.452 HD21 ' HG3' ' A' ' 57' ' ' ARG . 10.0 mt -95.41 127.29 41.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.084 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -87.63 102.15 14.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.172 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -91.87 128.89 43.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.969 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -77.42 110.47 12.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.876 0.37 . . . . 0.0 110.08 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' A' ' 45' ' ' SER . 67.2 mt -69.46 139.28 89.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.388 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -59.87 157.37 33.76 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.768 2.312 . . . . 0.0 111.073 175.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.52 -34.78 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.904 0.383 . . . . 0.0 110.686 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.46 -43.48 32.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.578 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.02 130.79 33.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.459 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.18 143.42 32.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.168 0.509 . . . . 0.0 111.483 -177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.73 91.49 8.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.182 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -153.79 -173.48 4.59 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.239 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.9 -32.46 71.92 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.79 83.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.473 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 10.1 tt -61.52 -43.72 98.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.25 175.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HA ' HG12 ' A' ' 37' ' ' VAL . 78.5 tttt -60.31 -54.16 49.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.649 -178.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.421 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.7 m -66.53 -32.04 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.086 -172.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.18 -36.14 64.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.303 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 34.4 mt -73.45 -29.12 62.35 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.571 175.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.7 mt -64.26 -6.12 6.27 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.498 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 42.5 mt-10 -100.28 16.66 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.611 0.243 . . . . 0.0 111.04 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.581 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 10.1 m -94.63 144.74 25.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -177.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.89 110.74 5.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.108 0.48 . . . . 0.0 111.317 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.81 17.82 13.82 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.609 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.581 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 35.3 m -85.44 142.66 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.345 0.593 . . . . 0.0 111.395 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -110.65 -38.39 5.18 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.677 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -170.45 140.58 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.645 -175.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.469 HG21 HG13 ' A' ' 48' ' ' VAL . 95.0 t -118.21 128.22 75.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.998 0.428 . . . . 0.0 110.667 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.4 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.9 mp -112.68 140.32 47.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.037 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.07 120.14 50.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 171.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.27 87.23 2.83 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -64.25 -39.29 93.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 -171.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.37 -30.2 69.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.312 0.577 . . . . 0.0 110.425 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -88.78 -11.16 45.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.36 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t60 53.83 36.37 23.9 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.131 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.423 ' HA ' HG13 ' A' ' 14' ' ' ILE . 48.7 m -138.22 165.68 26.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.429 -175.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.01 144.82 43.01 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 59.8 m-85 -111.53 103.21 11.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.483 0.658 . . . . 0.0 109.501 171.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.469 HG13 HG21 ' A' ' 37' ' ' VAL . 32.9 t -101.34 110.04 27.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.976 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -83.34 122.12 28.04 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.497 HG23 HG12 ' A' ' 60' ' ' VAL . 44.6 pt -105.1 161.6 4.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.687 0.756 . . . . 0.0 111.57 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.03 100.78 13.18 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.74 -1.573 . . . . 0.0 108.091 173.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 m -70.37 0.78 5.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.358 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -88.66 -38.06 15.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.0 110.645 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.8 p -95.46 -34.74 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -126.88 -179.9 5.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.1 0.476 . . . . 0.0 111.584 -172.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -134.6 137.45 43.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.45 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.711 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 4.0 ttp180 -45.83 -54.71 7.63 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.32 -45.28 92.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -172.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -66.14 -49.21 68.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.332 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.57 ' O ' HD11 ' A' ' 64' ' ' ILE . 12.3 p -68.17 -36.47 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.193 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.711 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 8.3 tm-20 -54.76 -45.65 74.23 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.399 0.68 . . . . 0.0 109.779 175.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.577 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 28.1 tt0 -55.55 -49.79 71.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.238 176.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.25 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 0.0 111.013 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.57 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.9 OUTLIER -64.6 -49.79 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.403 178.504 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 7.2 ppt_? -62.54 -38.33 89.58 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.401 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 21.9 mt-30 -60.82 -37.78 83.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.554 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.49 82.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.833 0.349 . . . . 0.0 110.286 175.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -77.24 -32.98 56.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.878 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.016 -178.519 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.914 0.387 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -78.87 167.81 53.04 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.128 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -103.82 19.52 19.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.428 0.632 . . . . 0.0 109.836 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -121.78 90.15 48.2 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.974 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' A' ' 6' ' ' TYR . 60.5 Cg_endo -76.73 160.88 34.18 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.657 2.238 . . . . 0.0 111.661 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.49 24.48 0.28 Allowed 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.042 2.494 . . . . 0.0 112.779 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' A' ' 4' ' ' PRO . 56.3 m-85 -123.73 11.02 9.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.537 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.613 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.2 m -77.17 124.41 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 121.312 0.577 . . . . 0.0 111.784 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -118.33 117.93 30.41 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -82.47 108.04 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.062 0.458 . . . . 0.0 110.77 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.653 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.3 mt -81.78 148.67 28.77 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -109.44 98.36 7.77 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -90.74 135.87 25.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.915 -176.061 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.38 115.05 21.24 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -66.55 138.35 95.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.32 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.4 Cg_exo -56.29 152.15 40.35 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.67 2.246 . . . . 0.0 111.155 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -25.42 65.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.824 -175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -93.25 -28.65 16.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.211 0.529 . . . . 0.0 110.617 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.57 139.26 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.114 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.77 151.0 21.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.952 0.406 . . . . 0.0 111.121 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' CB ' ' HA ' ' A' ' 41' ' ' GLU . . . -76.21 86.72 3.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.455 173.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -142.28 177.3 8.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.715 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.42 -25.86 66.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.91 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.69 90.66 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.198 0.523 . . . . 0.0 110.098 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 10.2 tt -60.95 -39.86 91.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.609 174.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . 79.2 tttt -64.93 -53.59 43.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.476 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.97 -33.82 62.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -71.84 -39.12 69.98 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.546 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.1 mt -74.37 -29.81 61.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.456 -0.152 . . . . 0.0 111.268 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -65.96 -9.44 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.625 0.25 . . . . 0.0 111.635 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -95.72 14.4 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.586 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 13.9 m -93.6 144.31 25.5 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -67.23 114.04 5.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.018 0.437 . . . . 0.0 111.274 -175.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 103.81 8.87 38.84 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.927 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.586 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.3 m -78.25 137.65 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.082 0.468 . . . . 0.0 111.061 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -114.12 -26.49 8.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.286 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -168.17 144.17 3.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.925 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.445 HG21 HG13 ' A' ' 48' ' ' VAL . 88.2 t -128.53 112.66 27.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.439 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -107.0 117.15 33.31 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.626 -176.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 1.5 mp -76.74 129.63 37.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-O 121.156 0.503 . . . . 0.0 110.124 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.93 85.36 2.1 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 20' ' ' ALA . 37.3 mt-10 -59.79 -40.32 87.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.05 -22.39 59.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.342 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -100.27 -7.18 24.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.04 0.448 . . . . 0.0 110.934 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.3 t60 53.77 40.24 31.26 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.288 -173.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.8 m -138.42 170.98 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.003 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -128.28 129.12 45.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.225 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 34.0 m-85 -99.81 102.85 14.4 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.289 0.566 . . . . 0.0 109.663 174.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.445 HG13 HG21 ' A' ' 37' ' ' VAL . 21.3 t -104.74 117.02 49.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.188 -176.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -82.82 126.11 32.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.02 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.613 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 26.5 pt -104.11 149.9 7.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.391 -177.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' A' ' 53' ' ' LYS . 14.2 t70 -93.03 103.86 16.13 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.114 173.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.4 m -69.74 1.32 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -174.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 30.1 mmmt -88.28 -28.36 21.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.152 -0.343 . . . . 0.0 110.597 176.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -110.34 -39.7 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.472 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 14.9 t -128.18 161.23 29.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.158 0.504 . . . . 0.0 111.673 -171.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -114.33 147.53 38.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.414 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 53.1 ttp180 -47.18 -54.53 10.44 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -173.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -63.63 -44.74 93.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.816 0.341 . . . . 0.0 110.724 -175.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.06 -51.67 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.052 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.518 ' O ' HD11 ' A' ' 64' ' ' ILE . 13.5 p -68.42 -37.15 77.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.2 tm-20 -55.46 -48.87 73.82 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.224 0.61 . . . . 0.0 109.908 176.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 35.4 tt0 -56.55 -43.52 80.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.702 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.23 83.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.518 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -61.33 -45.89 97.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.526 178.533 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 6.1 ppt_? -68.28 -32.26 72.29 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.4 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 57.0 mt-30 -65.66 -28.79 69.34 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.555 176.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.28 -21.14 62.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.308 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.41 HD13 ' HD3' ' A' ' 15' ' ' PRO . 54.7 mt -91.66 -39.64 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.056 175.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.517 178.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.951 0.405 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 120.91 -135.74 10.93 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.043 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 67.33 -177.67 0.21 Allowed 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.045 0.538 . . . . 0.0 111.21 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' HG2' ' HD2' ' A' ' 49' ' ' LYS . 6.6 mp0 -74.33 151.59 87.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.617 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -83.05 173.52 10.01 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.049 2.5 . . . . 0.0 112.088 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.64 -179.25 1.52 Allowed 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.521 2.148 . . . . 0.0 112.344 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 70.54 5.41 5.38 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.567 0.747 . . . . 0.0 111.767 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.619 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.0 m -80.95 138.27 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 121.421 0.629 . . . . 0.0 111.87 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -117.53 115.88 26.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.84 171.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -82.76 108.44 16.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 0.0 110.978 -176.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.597 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 6.8 mt -90.18 135.72 33.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.986 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -97.98 99.62 10.92 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mm -91.06 128.42 42.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.155 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.03 108.45 12.53 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.2 mt -68.25 139.38 92.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD3' HD13 ' A' ' 68' ' ' LEU . 21.5 Cg_exo -55.34 157.38 14.61 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 123.083 2.522 . . . . 0.0 111.542 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.64 -19.53 60.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.983 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -92.77 -41.81 9.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.922 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.5 HD11 ' N ' ' A' ' 18' ' ' ILE . 2.1 mp -71.18 128.96 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.846 -177.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 143.96 32.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.139 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.42 90.98 5.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.085 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -151.26 -175.18 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.913 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.41 -30.94 68.82 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.06 -42.44 80.57 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.264 0.554 . . . . 0.0 110.612 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.578 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.5 tt -61.79 -42.05 98.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.541 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 80.4 tttt -61.32 -53.27 58.9 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.604 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -63.42 -34.67 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -73.48 -38.98 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.976 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.5 mt -70.34 -29.57 66.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.592 177.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.22 -6.58 9.84 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.585 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -101.86 26.23 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.561 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 8.8 m -108.43 146.94 32.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.644 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -57.09 118.78 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.708 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.9 7.47 66.11 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.601 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.561 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 32.6 m -71.42 136.88 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 117.161 0.48 . . . . 0.0 110.645 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 28.0 mmmt -111.8 -31.51 6.93 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.427 ' HG3' HD12 ' A' ' 38' ' ' LEU . 6.5 tp10 -170.29 146.3 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.913 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.438 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.1 t -123.77 115.14 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.005 0.431 . . . . 0.0 110.272 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 HD12 ' HG3' ' A' ' 36' ' ' GLU . 10.6 mp -96.83 135.64 38.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.176 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.24 121.61 46.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 170.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.57 85.54 2.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.27 -25.14 65.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.6 -174.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.09 -9.04 59.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.96 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -119.39 -8.33 10.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.169 0.509 . . . . 0.0 110.93 -172.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.5 t60 53.3 36.58 23.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.877 0.846 . . . . 0.0 109.045 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 m -138.12 165.95 25.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.163 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.16 139.14 54.11 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.597 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 54.9 m-85 -107.71 103.0 12.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.562 0.696 . . . . 0.0 110.031 173.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 49.0 t -96.4 111.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.832 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HD2' ' HG2' ' A' ' 3' ' ' GLU . 84.6 mttt -86.27 115.19 23.66 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.619 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 43.0 pt -104.88 166.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.356 0.598 . . . . 0.0 111.428 -178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HB3' HG11 ' A' ' 54' ' ' VAL . 27.4 t70 -89.78 109.27 20.28 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.874 172.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 p -63.72 -7.74 8.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.631 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -88.46 -47.5 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.618 0.247 . . . . 0.0 111.289 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.422 HG11 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -84.99 -29.62 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -175.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -135.79 179.13 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.397 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.404 ' O ' HG11 ' A' ' 60' ' ' VAL . 48.5 t-20 -135.12 140.13 45.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 47.1 ttp180 -46.07 -54.43 8.53 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.19 -38.62 82.19 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.1 -171.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 62' ' ' GLN . 47.5 mt-10 -68.59 -48.22 64.73 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.255 0.55 . . . . 0.0 110.686 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.52 ' O ' HD11 ' A' ' 64' ' ' ILE . 12.1 p -69.29 -35.65 68.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.236 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.6 tm-20 -55.98 -43.62 77.77 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.473 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 8.4 tt0 -54.44 -45.5 73.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.486 176.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.31 -42.17 88.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.52 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.52 -46.52 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.464 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.4 ppt_? -62.2 -37.47 85.43 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -64.21 -32.82 74.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.626 0.25 . . . . 0.0 111.585 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.7 -21.97 63.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.192 0.52 . . . . 0.0 110.327 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.427 HD13 ' HD3' ' A' ' 15' ' ' PRO . 72.1 mt -89.98 -29.42 18.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.335 174.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 55.0 mm-40 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.294 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.555 0.217 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -110.8 142.71 16.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.38 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm 69.21 131.0 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.668 0.747 . . . . 0.0 111.983 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -94.27 137.31 22.84 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.478 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.94 159.26 27.42 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.983 2.455 . . . . 0.0 113.103 -171.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -77.08 17.83 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.264 2.643 . . . . 0.0 112.327 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -100.07 9.97 42.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.415 0.626 . . . . 0.0 109.572 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.627 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 12.6 m -72.16 130.68 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.345 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -126.73 125.93 42.62 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -90.38 108.28 19.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.207 0.527 . . . . 0.0 110.842 -176.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.2 mt -90.25 118.12 29.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.263 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -78.67 97.96 6.03 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mm -91.46 129.14 42.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.89 119.3 21.87 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.428 HG13 ' HA ' ' A' ' 45' ' ' SER . 66.7 mt -70.16 139.01 87.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.639 -176.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.7 Cg_exo -58.14 157.82 24.1 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.692 2.262 . . . . 0.0 111.404 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.71 75.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.63 -39.39 31.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.077 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.63 134.8 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.244 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.95 148.46 26.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.199 0.524 . . . . 0.0 111.525 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.88 93.61 8.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.589 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -167.37 -166.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -62.07 -32.09 72.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.597 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.77 82.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.265 0.555 . . . . 0.0 110.505 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 tt -65.33 -43.01 92.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.558 176.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 67.7 tttt -62.94 -52.15 64.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.491 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.65 -32.77 59.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -72.06 -39.16 69.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.245 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.516 ' O ' HG12 ' A' ' 34' ' ' VAL . 33.0 mt -76.19 -29.37 57.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.425 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.01 -4.93 3.84 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.31 17.7 22.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.705 0.288 . . . . 0.0 110.891 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.573 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 14.8 m -97.55 143.93 27.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.72 113.05 4.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.717 0.294 . . . . 0.0 111.378 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.433 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 103.98 11.01 33.31 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.731 176.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.573 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 33.0 m -80.88 143.34 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 110.715 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -117.08 -35.12 4.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.213 0.53 . . . . 0.0 110.052 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -167.05 141.33 3.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.173 -175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.549 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 62.8 t -120.69 113.62 40.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -105.79 106.96 17.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.596 -174.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.99 130.23 36.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.101 0.477 . . . . 0.0 110.207 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.84 89.8 3.17 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.07 -41.93 93.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.451 -172.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -74.94 -28.52 60.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.358 . . . . 0.0 111.328 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -83.08 -13.13 56.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.157 0.503 . . . . 0.0 110.443 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.8 t60 58.03 39.94 25.89 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.304 -174.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.428 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.4 m -142.27 165.76 26.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.506 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.82 129.54 26.24 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 175.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.567 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 63.7 m-85 -89.99 107.16 18.95 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.98 0.419 . . . . 0.0 110.586 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.4 t -88.67 108.37 18.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.514 ' HG2' ' HB ' ' A' ' 7' ' ' VAL . 4.7 ttmm -82.43 114.77 21.1 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.884 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.627 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 49.6 pt -104.82 170.7 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 CA-C-O 121.506 0.669 . . . . 0.0 111.922 -173.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.494 ' HB3' HG11 ' A' ' 54' ' ' VAL . 15.4 t70 -104.82 102.58 12.13 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.943 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -67.8 -2.38 7.07 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -89.04 -39.31 13.75 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.067 -0.396 . . . . 0.0 110.977 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 51' ' ' ASP . 7.9 p -92.3 -27.09 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.31 -178.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.433 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 12.7 t -145.19 165.53 28.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.43 . . . . 0.0 111.159 -176.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -118.01 154.04 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.516 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 16.7 ttm-85 -45.96 -53.52 9.84 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.62 -43.4 80.47 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.102 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.53 -51.97 65.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.289 0.566 . . . . 0.0 110.832 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.573 ' O ' HD11 ' A' ' 64' ' ' ILE . 13.2 p -68.98 -37.63 77.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.525 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 6.5 tm-20 -54.17 -46.98 72.46 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' HG3' ' NH2' ' A' ' 65' ' ' ARG . 8.3 tt0 -54.99 -44.25 74.3 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.613 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.06 79.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.573 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.69 -49.44 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.309 178.503 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' NH2' ' HG3' ' A' ' 62' ' ' GLN . 4.9 ppt_? -62.09 -36.62 82.26 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.17 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -65.09 -29.79 70.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.82 0.343 . . . . 0.0 111.707 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.49 61.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.961 0.41 . . . . 0.0 110.403 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.41 HD13 ' HD3' ' A' ' 15' ' ' PRO . 62.4 mt -95.47 -27.89 15.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 176.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.438 179.234 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 62.0 ttp . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.787 0.327 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 95.96 168.16 34.81 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.829 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 57.21 76.11 0.33 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.569 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -75.06 117.26 61.48 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.878 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' TYR . 72.1 Cg_endo -85.15 145.28 9.7 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.703 2.268 . . . . 0.0 111.657 177.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.86 43.32 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.841 2.361 . . . . 0.0 112.467 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.418 ' H ' ' C ' ' A' ' 4' ' ' PRO . 64.7 m-85 -132.07 -0.95 3.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.65 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.663 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 10.8 m -71.67 117.34 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 121.469 0.652 . . . . 0.0 111.457 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.6 m -97.41 142.35 29.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.629 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -95.19 106.75 18.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.65 0.262 . . . . 0.0 110.699 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 9.3 mt -97.6 126.51 42.94 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' NH2' ' HB3' ' A' ' 43' ' ' GLU . 37.4 ttt180 -91.51 107.17 19.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.031 0.443 . . . . 0.0 110.222 175.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -93.57 128.09 45.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.892 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.83 108.64 10.0 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.425 HG13 ' HA ' ' A' ' 45' ' ' SER . 69.4 mt -64.38 140.12 97.88 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.465 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD3' HD13 ' A' ' 68' ' ' LEU . 16.9 Cg_exo -58.23 146.95 86.72 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.707 2.271 . . . . 0.0 110.544 175.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 -23.49 66.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.555 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.07 -37.86 17.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.021 0.438 . . . . 0.0 110.535 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.95 137.53 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.581 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.84 142.71 27.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.422 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.98 91.98 2.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.673 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -148.23 178.64 8.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.192 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.65 -28.97 70.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.203 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.77 79.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.158 0.504 . . . . 0.0 110.532 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 tt -61.81 -43.56 98.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.449 0.643 . . . . 0.0 109.585 174.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 78.5 tttt -61.55 -52.89 62.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.56 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.3 m -63.86 -35.38 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -70.28 -38.06 74.99 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.273 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 33.7 mt -74.68 -29.72 61.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.036 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.2 -8.51 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.69 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 24.1 mt-10 -104.08 19.99 19.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.704 0.287 . . . . 0.0 110.931 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.579 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 23.7 m -95.58 143.62 26.72 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -68.89 116.26 9.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.855 0.36 . . . . 0.0 110.893 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.43 9.46 29.15 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.328 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.579 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 29.8 m -86.06 159.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.296 0.57 . . . . 0.0 111.215 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -134.64 -35.86 0.87 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.982 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -168.89 140.51 2.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.703 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.582 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 95.3 t -122.51 129.73 75.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.065 0.46 . . . . 0.0 110.557 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.2 mp -109.03 141.04 41.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.931 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -102.69 132.73 48.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.117 0.484 . . . . 0.0 110.201 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.41 84.08 2.16 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.28 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.0 -43.4 81.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.143 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.75 -27.01 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.037 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.488 ' HB3' ' NH2' ' A' ' 11' ' ' ARG . 70.9 mm-40 -94.69 -12.21 27.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.295 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.424 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 17.3 t60 52.79 41.69 31.7 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.006 -169.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.425 ' HA ' HG13 ' A' ' 14' ' ' ILE . 21.2 m -138.55 167.72 21.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.373 -177.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -120.81 147.52 45.24 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.532 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 79.7 m-85 -113.57 104.1 11.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.386 0.612 . . . . 0.0 109.847 171.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.3 t -95.24 119.87 43.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.142 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -80.66 109.59 15.33 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.203 174.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.663 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.5 pt -105.2 160.48 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 CA-C-O 121.877 0.846 . . . . 0.0 112.478 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.423 ' HB3' HG11 ' A' ' 54' ' ' VAL . 9.9 t70 -92.22 92.71 8.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.23 173.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.2 p -66.87 -4.54 9.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.818 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -87.42 -26.64 23.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.731 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG11 ' HB3' ' A' ' 51' ' ' ASP . 7.6 p -104.15 -28.73 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.136 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 t -143.55 172.05 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.84 0.352 . . . . 0.0 111.038 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.441 ' O ' HG11 ' A' ' 60' ' ' VAL . 22.4 m-80 -119.48 160.23 22.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.533 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 19.1 ttm180 -46.13 -54.13 9.16 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -70.46 -38.64 74.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.841 0.353 . . . . 0.0 111.342 -166.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.24 -47.25 62.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.221 0.534 . . . . 0.0 110.775 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.517 HG12 HG23 ' A' ' 50' ' ' ILE . 14.5 p -71.66 -35.37 55.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.058 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.4 tm-20 -56.81 -43.67 81.22 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 48.9 tt0 -55.15 -46.46 75.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.139 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.86 96.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.976 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.467 HD11 HG21 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -61.32 -48.02 90.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.659 178.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -64.07 -34.31 77.75 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.302 -178.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 24.5 mt-30 -67.42 -28.13 67.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.815 0.341 . . . . 0.0 111.601 176.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.85 -21.08 61.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.392 0.615 . . . . 0.0 109.996 174.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.439 HD13 ' HD3' ' A' ' 15' ' ' PRO . 45.5 mt -92.78 -37.16 12.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.381 175.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.417 178.836 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 80.47 -80.25 1.67 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.929 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -105.34 91.66 3.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.199 0.523 . . . . 0.0 110.539 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -127.89 77.02 76.97 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.648 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.0 Cg_exo -80.74 147.46 17.25 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.18 2.586 . . . . 0.0 112.109 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 2.7 Cg_exo -76.62 9.18 2.7 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.537 2.158 . . . . 0.0 112.51 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -101.63 4.87 41.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 24.0 m -73.16 143.08 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.699 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.465 ' HB2' HG12 ' A' ' 50' ' ' ILE . 23.5 m -114.09 120.22 39.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 166.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -87.46 110.1 20.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.905 0.383 . . . . 0.0 110.447 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.2 mt -91.41 129.78 37.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.326 -177.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 11.0 ttp180 -89.77 102.86 15.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -91.9 128.9 43.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.974 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.91 112.34 17.11 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -74.06 137.94 75.9 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.903 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HB2' HD11 ' A' ' 18' ' ' ILE . 15.1 Cg_exo -60.5 136.75 69.51 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.708 2.272 . . . . 0.0 110.469 175.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.89 68.49 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.66 -29.37 45.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.146 0.498 . . . . 0.0 110.193 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.433 HD11 ' HB2' ' A' ' 15' ' ' PRO . 1.4 mp -81.54 139.96 17.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.851 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.52 143.43 26.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.115 0.483 . . . . 0.0 111.173 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.44 89.54 7.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.947 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -145.68 -173.02 4.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.14 -28.32 67.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.407 0.146 . . . . 0.0 111.025 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.92 80.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.338 0.589 . . . . 0.0 110.136 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 8.8 tt -64.4 -44.12 92.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.46 174.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 76.0 tttt -59.19 -53.72 55.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.485 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.94 -33.09 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 8.3 ptp180 -70.59 -37.45 73.92 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.064 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.554 ' O ' HG12 ' A' ' 34' ' ' VAL . 85.6 mt -76.91 -29.03 55.54 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.508 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD12 ' HE2' ' A' ' 25' ' ' LYS . 23.5 mt -61.84 -4.32 1.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.558 174.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -104.07 16.66 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.033 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.593 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 18.8 m -94.53 144.32 25.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.92 0.39 . . . . 0.0 110.343 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -61.27 101.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.091 -174.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.16 13.46 19.43 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.166 -0.54 . . . . 0.0 113.252 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.593 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.1 m -79.8 147.95 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 117.105 0.453 . . . . 0.0 111.551 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -121.11 -35.54 3.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.378 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -163.63 146.33 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.951 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.425 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 71.9 t -129.76 119.55 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tt -113.87 131.3 56.32 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.3 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -90.17 125.28 43.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.961 0.41 . . . . 0.0 110.829 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.42 88.86 2.83 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -38.5 88.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.622 -170.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.06 -21.59 66.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.024 0.44 . . . . 0.0 111.058 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -101.85 -11.15 19.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.658 0.742 . . . . 0.0 109.973 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.402 ' HE1' ' O ' ' A' ' 15' ' ' PRO . 10.6 t-80 50.63 40.55 24.15 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.484 -170.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.7 m -136.32 164.91 27.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.136 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -118.23 152.43 35.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.605 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.465 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 71.7 m-85 -115.31 103.92 11.3 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 171.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -101.22 113.71 38.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.265 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -83.94 122.07 28.23 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.837 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 7.7 pt -105.29 152.7 7.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.482 -176.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' HB3' HG11 ' A' ' 54' ' ' VAL . 25.4 t70 -83.21 102.09 11.67 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 168.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -65.21 -6.27 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.061 -173.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -86.87 -46.1 10.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.666 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 51' ' ' ASP . 9.8 p -84.16 -29.12 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.463 -177.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 t -141.13 175.05 9.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.978 0.418 . . . . 0.0 111.099 -175.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' HG11 ' A' ' 60' ' ' VAL . 96.1 m-20 -126.58 154.94 43.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.741 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.668 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 32.7 ttp180 -46.73 -53.8 11.03 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -70.24 -39.45 75.02 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.379 -0.529 . . . . 0.0 111.073 -169.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.3 -50.68 59.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.061 0.458 . . . . 0.0 111.222 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.482 ' O ' HD11 ' A' ' 64' ' ' ILE . 11.4 p -67.76 -37.51 78.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.083 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.668 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 1.5 tm-20 -55.3 -44.21 75.54 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.806 174.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.601 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 3.3 tp-100 -57.02 -46.24 82.49 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.074 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.25 96.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.635 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.482 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.5 OUTLIER -59.15 -49.08 84.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.536 178.839 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 7.6 ppt_? -60.67 -39.68 89.3 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.921 -178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' HD2' ' A' ' 65' ' ' ARG . 23.9 mt-30 -63.87 -28.7 70.02 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.989 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.37 -22.13 61.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.187 0.518 . . . . 0.0 110.416 175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.5 mt -91.9 -32.73 15.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.457 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.57 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.105 0.479 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -146.76 -84.74 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.694 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -141.64 28.01 1.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.775 0.321 . . . . 0.0 110.499 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.82 146.62 60.29 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.212 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' A' ' 6' ' ' TYR . 15.1 Cg_exo -68.27 152.9 75.48 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.9 2.4 . . . . 0.0 111.884 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 7.6 Cg_exo -72.47 13.24 0.57 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.954 2.436 . . . . 0.0 112.598 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 4' ' ' PRO . 91.0 m-85 -106.04 5.33 30.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.045 0.45 . . . . 0.0 110.135 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 27.1 m -79.22 145.96 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.375 177.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -134.51 119.05 18.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 p -82.94 111.17 18.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.084 0.469 . . . . 0.0 111.126 -175.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.5 mt -86.0 131.26 34.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.801 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 32.6 ttp180 -89.0 103.96 16.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mm -90.58 120.58 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.056 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.99 108.57 10.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.277 0.56 . . . . 0.0 109.725 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.417 HG13 ' HA ' ' A' ' 45' ' ' SER . 82.0 mt -72.67 140.94 81.88 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.619 -171.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -58.86 156.05 35.12 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.988 2.459 . . . . 0.0 111.789 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.01 -29.4 64.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.59 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -85.11 -39.35 18.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.02 135.7 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.564 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 133.25 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.998 0.427 . . . . 0.0 111.439 -177.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.57 83.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 171.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -145.1 178.5 8.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 -168.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.56 -28.06 69.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.88 0.371 . . . . 0.0 110.031 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.11 -41.51 83.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.355 0.598 . . . . 0.0 110.25 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.9 tt -63.01 -42.12 99.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.653 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 80.6 tttt -60.25 -53.1 61.75 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.371 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.8 m -65.1 -34.53 71.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -173.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -71.44 -36.33 71.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.749 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.0 mt -74.41 -29.82 61.67 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.585 0.231 . . . . 0.0 110.816 177.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.1 mt -65.63 -5.1 7.36 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.593 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 44.7 mt-10 -99.2 13.8 31.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 111.038 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.592 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 13.5 m -95.55 143.93 26.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -176.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -71.51 119.2 15.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.084 -0.385 . . . . 0.0 110.878 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.68 9.52 35.07 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.388 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.592 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.0 m -83.72 141.62 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.147 0.499 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 32.5 mmmt -117.46 -31.33 5.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.395 174.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -170.21 146.71 3.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.356 -175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.466 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 83.7 t -129.59 114.01 29.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.032 0.444 . . . . 0.0 110.045 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 tt -105.31 132.19 51.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.943 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -95.98 128.57 47.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.992 0.425 . . . . 0.0 110.257 176.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.18 87.19 2.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.588 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.24 -33.21 73.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.097 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.84 -29.61 70.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.556 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -95.81 -7.39 37.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.361 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.2 t60 53.26 34.7 18.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 122.019 0.914 . . . . 0.0 109.24 -171.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.417 ' HA ' HG13 ' A' ' 14' ' ' ILE . 15.7 m -143.28 159.57 42.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.922 -175.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.507 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -107.13 157.97 17.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.009 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.579 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 96.6 m-85 -121.89 103.36 8.79 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 171.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.1 t -100.91 111.62 31.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.08 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -78.68 121.24 24.45 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.636 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 46.7 pt -103.82 156.42 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 CA-C-O 121.703 0.763 . . . . 0.0 111.096 -177.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.503 ' HB3' HG11 ' A' ' 54' ' ' VAL . 16.0 t70 -89.47 98.77 11.95 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.905 -1.498 . . . . 0.0 108.622 175.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 m -66.06 -6.72 13.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.925 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -88.08 -16.16 34.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.503 HG11 ' HB3' ' A' ' 51' ' ' ASP . 7.3 p -119.14 -33.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.437 ' OG1' ' HB ' ' A' ' 60' ' ' VAL . 12.2 t -134.65 -176.93 4.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.316 0.579 . . . . 0.0 112.11 -172.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.477 ' O ' HG11 ' A' ' 60' ' ' VAL . 29.9 t30 -138.97 142.48 38.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.136 -174.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.618 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 25.5 ttp180 -47.07 -54.83 9.47 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -172.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -64.57 -43.1 94.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.947 0.403 . . . . 0.0 110.968 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.16 -50.28 64.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.245 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 50' ' ' ILE . 14.4 p -70.02 -33.58 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.382 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.618 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 7.3 tm-20 -55.87 -43.48 77.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.141 0.576 . . . . 0.0 109.81 174.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.56 -43.62 89.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.624 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.56 90.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.08 -41.31 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.28 174.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.62 -42.11 74.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.699 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -59.76 -35.09 73.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.031 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.18 -29.58 69.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.221 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.47 -26.75 30.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.81 0.338 . . . . 0.0 110.709 175.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.02 178.326 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.66 0.267 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -83.5 64.97 4.21 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.188 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -96.16 165.54 12.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.446 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -83.07 132.68 49.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.514 ' O ' HG23 ' A' ' 7' ' ' VAL . 16.2 Cg_exo -66.33 138.81 52.31 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.527 2.152 . . . . 0.0 111.93 -177.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 8.4 Cg_exo -71.69 15.9 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.922 2.415 . . . . 0.0 112.527 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' A' ' 4' ' ' PRO . 36.5 m-85 -105.72 -2.6 23.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.181 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 4' ' ' PRO . 6.4 m -66.74 130.79 32.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.288 0.566 . . . . 0.0 111.766 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -124.7 120.74 32.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.466 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 m -89.76 111.17 22.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.069 0.462 . . . . 0.0 110.542 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.8 mt -88.05 131.57 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.289 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 53.1 ttp180 -93.78 107.36 19.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.032 0.444 . . . . 0.0 109.908 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -96.14 132.24 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.446 -176.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -79.82 108.84 13.7 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 83.7 mt -78.43 139.93 59.92 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.309 -175.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -57.72 134.65 64.29 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.373 2.048 . . . . 0.0 110.278 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.4 -25.58 66.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.665 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -80.91 -31.7 35.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.767 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.98 133.73 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.064 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.38 142.37 31.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.056 0.455 . . . . 0.0 111.186 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.34 90.22 7.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.872 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -141.74 -173.72 3.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -174.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.42 -30.0 71.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.565 0.222 . . . . 0.0 111.006 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.81 96.72 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.145 0.498 . . . . 0.0 110.315 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.57 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.4 tt -60.65 -44.72 96.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.772 174.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HA ' HG12 ' A' ' 37' ' ' VAL . 82.3 tttt -58.07 -53.23 60.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.539 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.48 -36.56 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -173.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -68.56 -35.34 77.27 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.449 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 32.1 mt -76.12 -30.66 58.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.692 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.77 -12.22 33.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.448 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -93.7 10.97 30.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.83 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.569 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 21.1 m -89.83 141.56 28.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.038 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.4 110.71 3.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.958 0.409 . . . . 0.0 111.168 -175.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.77 6.6 28.39 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.636 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.569 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 33.2 m -78.38 144.64 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.998 0.427 . . . . 0.0 110.851 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -114.77 -34.37 5.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.237 173.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -169.53 140.89 2.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.925 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 25' ' ' LYS . 90.1 t -118.92 121.34 66.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.179 0.514 . . . . 0.0 110.598 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 6.7 mp -105.51 140.41 38.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.955 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -103.98 131.29 53.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.074 174.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.26 85.5 2.24 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 170.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -62.07 -42.44 99.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.71 -169.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -66.19 -28.61 68.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.695 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.66 -15.46 30.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.039 0.447 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.435 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 4.1 t60 60.9 39.17 17.12 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.357 -174.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.404 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.4 t -139.02 160.52 39.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.965 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -120.0 149.77 41.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.075 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.577 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 90.3 m-85 -116.56 103.7 10.67 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 172.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.46 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 61.5 t -97.86 109.26 23.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.424 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HG2' ' HB ' ' A' ' 7' ' ' VAL . 15.7 ttmm -80.08 116.5 20.23 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.452 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.513 HG23 HG12 ' A' ' 60' ' ' VAL . 5.5 pt -106.05 169.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.697 0.76 . . . . 0.0 112.386 -176.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.46 ' HB3' HG11 ' A' ' 54' ' ' VAL . 11.5 t70 -99.21 96.76 7.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.355 172.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.592 ' HA ' ' O ' ' A' ' 55' ' ' THR . 60.7 p -66.44 -6.31 14.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -172.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 2.1 mmmp? -80.95 -43.13 20.19 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.46 HG11 ' HB3' ' A' ' 51' ' ' ASP . 8.8 p -86.33 -31.35 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.592 ' O ' ' HA ' ' A' ' 52' ' ' SER . 12.7 t -147.51 154.95 41.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.504 0.192 . . . . 0.0 110.632 -174.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -105.3 161.23 14.47 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -46.68 -52.51 13.64 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -52.06 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.464 -167.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 11.5 pt-20 -58.29 -46.92 85.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.187 0.517 . . . . 0.0 111.195 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.513 HG12 HG23 ' A' ' 50' ' ' ILE . 12.4 p -74.04 -35.35 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.496 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -45.36 78.23 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.26 0.624 . . . . 0.0 109.846 173.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 61.3 tt0 -55.02 -48.83 72.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.321 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.88 90.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.249 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -62.03 -49.47 83.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.462 178.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -66.15 -35.24 79.96 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.263 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 99.0 mt-30 -64.79 -27.86 69.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.911 0.386 . . . . 0.0 111.443 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.24 -21.36 62.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.3 mt -93.16 -32.31 14.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.436 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.417 -178.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 69.5 mtm . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.923 0.392 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -81.24 59.6 4.77 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.246 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -82.07 58.88 4.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.373 0.606 . . . . 0.0 110.377 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.91 113.74 54.85 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.106 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.508 ' O ' HG22 ' A' ' 7' ' ' VAL . 24.6 Cg_exo -65.18 157.54 56.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.584 2.189 . . . . 0.0 111.476 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -80.05 8.1 4.27 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.68 2.254 . . . . 0.0 111.437 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -92.91 -13.62 28.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.607 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.704 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 34.7 m -80.36 150.63 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-O 121.394 0.616 . . . . 0.0 112.226 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 21.4 t -133.95 125.72 28.83 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -87.62 108.45 19.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.217 0.532 . . . . 0.0 110.977 -175.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.4 mt -95.17 129.41 42.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.063 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -95.22 109.26 21.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.749 0.309 . . . . 0.0 110.192 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -103.74 138.27 28.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.578 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -77.87 118.08 19.85 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 24' ' ' LEU . 97.3 mt -80.91 136.56 50.75 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.776 0.322 . . . . 0.0 111.274 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -63.26 151.01 86.98 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.892 2.395 . . . . 0.0 111.384 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.62 -24.53 56.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.061 0.457 . . . . 0.0 110.819 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.04 -29.37 31.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.781 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -86.4 131.98 33.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.86 131.08 38.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.159 0.505 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.64 91.38 6.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.45 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -164.61 -166.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.69 -29.51 53.22 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.615 0.245 . . . . 0.0 111.488 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.09 93.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.13 0.49 . . . . 0.0 110.887 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' CD1' HG23 ' A' ' 14' ' ' ILE . 9.3 tt -66.44 -38.74 88.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.482 0.658 . . . . 0.0 109.538 175.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 79.7 tttt -60.0 -53.12 61.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.983 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.13 -35.83 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -174.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -67.15 -39.82 86.6 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.426 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.2 mt -76.07 -29.75 58.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.253 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.21 -21.61 59.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.605 0.24 . . . . 0.0 111.462 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.06 14.68 5.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.393 . . . . 0.0 111.502 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.447 ' HB ' HG23 ' A' ' 34' ' ' VAL . 30.9 m -98.65 136.91 38.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.15 117.24 6.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.785 -173.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.63 3.21 43.44 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.529 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.447 HG23 ' HB ' ' A' ' 31' ' ' THR . 69.3 t -83.52 130.23 36.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 117.172 0.486 . . . . 0.0 111.122 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -96.25 -41.23 8.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.055 175.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -165.63 140.73 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.328 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.5 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 58.9 t -114.89 122.25 68.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.483 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 8.6 mp -103.38 140.36 37.55 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.789 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.93 127.31 64.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 173.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.69 91.65 3.64 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.668 173.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -17.94 63.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.824 0.345 . . . . 0.0 110.692 -177.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.84 -40.03 91.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.467 0.651 . . . . 0.0 109.79 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -103.82 -3.56 24.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.546 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.9 t60 51.2 42.28 28.66 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.62 -172.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.431 ' HA ' HG13 ' A' ' 14' ' ' ILE . 19.8 m -139.4 158.56 43.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.849 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.65 140.45 40.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.496 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 67.4 m-85 -106.88 102.79 12.13 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 169.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.462 HG13 HG21 ' A' ' 37' ' ' VAL . 28.6 t -96.54 112.11 28.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.951 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 8' ' ' SER . 63.0 mttm -84.09 116.91 23.11 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.704 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 33.7 pt -104.51 166.26 3.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.365 0.602 . . . . 0.0 111.15 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' HB3' HG11 ' A' ' 54' ' ' VAL . 14.1 t70 -92.39 102.98 15.46 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.635 174.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 m -69.24 -1.89 9.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.926 -172.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.529 ' CE ' ' HA ' ' A' ' 53' ' ' LYS . 5.3 mmpt? -89.08 -34.6 16.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.653 0.264 . . . . 0.0 110.887 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -96.08 -32.91 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.652 -177.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 t -141.84 169.58 17.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.669 0.271 . . . . 0.0 110.849 -173.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.415 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -121.04 154.79 35.61 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.726 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 23.5 ttp180 -46.97 -54.41 10.18 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -175.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.94 -42.07 97.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.709 0.231 . . . . 0.0 111.403 -168.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 11.5 pt-20 -69.54 -45.67 68.26 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.386 0.613 . . . . 0.0 110.938 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.516 HG12 HG23 ' A' ' 50' ' ' ILE . 13.9 p -73.42 -33.91 41.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.023 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 1.9 tm-20 -56.26 -44.41 79.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.865 174.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 36.2 tt0 -55.9 -47.85 76.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.338 174.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.51 80.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.374 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.504 HD11 HG21 ' A' ' 60' ' ' VAL . 0.7 OUTLIER -65.08 -47.68 86.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.469 178.343 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -63.5 -34.78 78.53 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.224 -179.031 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -65.43 -34.17 77.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.598 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.63 64.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.0 0.428 . . . . 0.0 110.191 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.8 mt -91.0 -24.68 20.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.258 175.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.447 177.484 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.637 0.256 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.86 -55.88 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.08 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.32 -14.09 50.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.236 0.541 . . . . 0.0 110.47 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -92.25 122.61 64.45 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.912 -177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 31.5 Cg_exo -60.2 144.41 99.49 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.408 2.072 . . . . 0.0 111.808 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 5.8 Cg_exo -77.15 23.94 0.51 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.97 2.447 . . . . 0.0 112.919 -177.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -127.07 7.3 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.845 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 26.7 m -79.99 124.9 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 121.478 0.656 . . . . 0.0 112.105 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -109.72 122.65 47.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 p -88.01 98.3 11.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.856 0.36 . . . . 0.0 111.123 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 11.2 mt -79.03 125.95 30.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.973 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -82.75 98.88 9.32 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 174.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.8 mm -89.95 133.57 31.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.182 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.59 119.24 20.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.152 0.501 . . . . 0.0 110.361 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.404 ' HB ' ' CD2' ' A' ' 44' ' ' HIS . 57.2 mt -73.03 139.64 79.83 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.581 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HD3' HD13 ' A' ' 68' ' ' LEU . 23.5 Cg_exo -58.24 158.05 23.68 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.901 2.4 . . . . 0.0 111.557 174.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.26 90.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.63 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -87.17 -20.22 27.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.195 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mp -82.35 138.52 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.696 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.52 145.89 24.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.037 0.446 . . . . 0.0 111.149 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.71 90.99 4.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.753 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -161.27 -176.7 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.049 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 43.8 tt0 -58.32 -28.13 64.77 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -175.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.77 81.14 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.118 0.485 . . . . 0.0 110.684 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.6 tt -64.52 -40.79 96.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.437 175.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 77.9 tttt -59.66 -53.13 61.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.191 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.17 -33.12 61.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -74.54 -35.0 63.1 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.841 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.9 mt -75.5 -28.74 59.29 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.277 -0.264 . . . . 0.0 110.906 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.33 -10.49 11.3 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.72 0.295 . . . . 0.0 111.568 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -90.93 19.76 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.161 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.693 ' O ' HG23 ' A' ' 34' ' ' VAL . 19.7 m -106.74 143.95 34.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.67 0.272 . . . . 0.0 110.935 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.95 112.39 4.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.637 0.256 . . . . 0.0 110.459 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 110.28 -2.67 29.67 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.315 176.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 31' ' ' THR . 22.5 m -79.49 132.33 32.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 117.416 0.608 . . . . 0.0 111.21 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.48 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 66.1 mmtt -103.84 -34.94 8.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.319 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -168.32 140.69 2.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.391 -174.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.502 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 60.3 t -119.77 121.42 66.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.134 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.426 ' C ' HD21 ' A' ' 38' ' ' LEU . 9.8 tt -110.78 114.41 27.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.276 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.22 131.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.188 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.66 84.32 2.04 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.52 -41.93 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.715 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.99 -39.64 78.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 111.396 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.48 -1.74 57.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.403 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.404 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 22.1 t60 52.58 39.4 28.05 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 122.02 0.914 . . . . 0.0 108.813 -171.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.6 m -134.12 175.04 9.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.844 -176.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -145.91 127.86 15.48 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.586 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 33.6 m-85 -87.61 104.78 16.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.405 0.621 . . . . 0.0 110.614 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.7 t -94.49 114.79 31.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.071 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.483 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 92.5 mttt -81.09 122.0 26.8 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.869 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 1.3 pt -104.14 147.44 10.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.603 -175.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.48 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 21.7 t70 -85.41 99.51 11.24 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.596 171.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 m -67.29 0.8 2.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.967 -174.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' HB3' ' HZ3' ' A' ' 53' ' ' LYS . 3.2 mmmp? -88.47 -43.93 11.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.702 0.287 . . . . 0.0 110.476 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 51' ' ' ASP . 9.7 p -93.32 -26.83 4.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.685 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.493 ' OG1' ' HB ' ' A' ' 60' ' ' VAL . 14.8 t -142.63 169.04 18.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.733 0.301 . . . . 0.0 110.986 -174.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.437 ' O ' HG11 ' A' ' 60' ' ' VAL . 29.6 m-80 -123.68 163.75 20.47 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 12.2 ttm180 -46.53 -52.37 13.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.747 0.654 . . . . 0.0 112.577 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -70.4 -48.2 57.26 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.47 -167.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.47 -43.3 90.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.08 0.467 . . . . 0.0 111.13 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.517 ' O ' HD11 ' A' ' 64' ' ' ILE . 7.3 p -69.89 -38.79 76.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.985 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.661 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 2.6 tm-20 -53.23 -44.72 68.29 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.271 0.629 . . . . 0.0 109.593 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.402 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 47.1 tt0 -55.81 -49.15 74.02 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.2 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.84 78.97 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.056 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.517 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.76 -49.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.332 177.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' HD3' ' HG3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -64.65 -31.97 73.43 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.64 -179.065 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.452 ' HG3' ' HD3' ' A' ' 65' ' ' ARG . 29.4 mt-30 -65.65 -33.17 75.28 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.659 0.266 . . . . 0.0 111.418 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.4 65.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.091 0.472 . . . . 0.0 110.663 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.426 HD13 ' HD3' ' A' ' 15' ' ' PRO . 38.1 mt -98.68 -23.47 15.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.801 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.011 -177.582 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.711 0.291 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 157.91 -97.95 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.816 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -76.91 79.12 3.48 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 30.5 tt0 -134.06 133.95 22.51 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.525 -167.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 7' ' ' VAL . 18.9 Cg_exo -67.39 138.21 45.64 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.531 2.154 . . . . 0.0 111.462 176.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 1.8 Cg_endo -78.28 29.74 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.609 2.206 . . . . 0.0 112.969 -175.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -131.51 2.31 4.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.986 0.422 . . . . 0.0 110.303 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.65 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 30.4 m -87.93 164.62 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.496 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.414 ' HB2' HG12 ' A' ' 50' ' ' ILE . 13.3 m -135.39 117.56 15.49 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 167.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -82.44 98.98 9.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.857 0.361 . . . . 0.0 110.984 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.615 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.0 mt -87.82 137.18 32.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.814 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -103.48 101.52 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.9 0.381 . . . . 0.0 110.088 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -91.43 138.16 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.951 -178.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.59 108.77 16.22 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 15' ' ' PRO . 79.5 mt -66.65 140.05 96.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.78 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' N ' HG21 ' A' ' 14' ' ' ILE . 13.6 Cg_exo -62.12 150.44 86.65 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.609 2.206 . . . . 0.0 110.754 173.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.67 57.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.872 0.368 . . . . 0.0 111.283 -177.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.77 -30.59 20.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.419 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -80.49 134.17 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.934 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.65 138.73 41.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.251 0.548 . . . . 0.0 111.473 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.53 92.73 9.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.878 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -159.79 -174.56 4.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.811 -176.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 45.0 tt0 -59.28 -28.73 67.01 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.608 0.242 . . . . 0.0 111.261 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.45 85.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.073 0.463 . . . . 0.0 110.606 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.46 -39.73 94.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.299 0.571 . . . . 0.0 109.657 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HE3' ' OE2' ' A' ' 36' ' ' GLU . 78.3 tttt -61.21 -53.43 56.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.0 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 m -64.88 -32.34 57.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.008 -174.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 8.7 ptp180 -71.21 -37.76 72.07 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.3 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 28' ' ' LEU . 85.2 mt -77.12 -28.55 54.42 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.629 0.252 . . . . 0.0 111.139 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.435 HD12 ' HE2' ' A' ' 25' ' ' LYS . 25.7 mt -63.2 -4.71 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.506 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.68 19.38 12.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.625 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.601 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 15.1 m -98.23 143.65 28.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.69 115.71 11.2 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.077 0.465 . . . . 0.0 109.899 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 102.34 21.86 10.33 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.611 177.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.601 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 31.2 m -88.2 144.43 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.192 0.52 . . . . 0.0 111.433 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -114.89 -44.5 3.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.684 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.551 ' OE2' ' HE3' ' A' ' 25' ' ' LYS . 9.9 tp10 -161.21 146.92 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.037 -174.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.512 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 67.5 t -127.78 112.3 27.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 177.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.403 ' C ' HD21 ' A' ' 38' ' ' LEU . 10.5 tt -106.45 121.64 44.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.61 121.61 37.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.014 0.435 . . . . 0.0 109.903 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.62 94.77 5.0 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.312 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -22.07 62.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.957 0.408 . . . . 0.0 110.908 -176.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.53 -18.67 65.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.128 0.49 . . . . 0.0 110.294 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -111.32 -12.03 14.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.136 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.406 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 42.7 t60 48.66 41.95 18.57 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.74 -165.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -135.81 160.76 37.56 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.163 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -112.58 122.49 47.84 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.322 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.615 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 41.7 m-85 -89.06 101.72 14.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.558 0.694 . . . . 0.0 109.133 171.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.462 HG13 HG21 ' A' ' 37' ' ' VAL . 27.4 t -100.46 109.8 25.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.509 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 84.3 mttt -84.94 118.3 24.46 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.65 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 45.5 pt -104.22 169.01 2.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.761 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' OD1' ' HB2' ' A' ' 53' ' ' LYS . 15.4 t70 -97.95 103.8 15.77 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.244 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.9 t -66.05 -12.82 57.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.724 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 12.3 mmmm -76.57 -39.89 51.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.99 0.424 . . . . 0.0 110.582 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.472 HG11 ' HB3' ' A' ' 51' ' ' ASP . 10.3 p -99.81 -28.37 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.406 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 14.5 t -141.85 177.92 7.86 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.028 0.442 . . . . 0.0 111.74 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -132.28 146.35 51.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.841 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.583 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 41.0 ttp180 -46.4 -55.19 7.73 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -172.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -66.75 -41.74 87.31 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.793 -172.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.4 -52.62 62.87 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.562 0.696 . . . . 0.0 110.723 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.501 HG12 HG23 ' A' ' 50' ' ' ILE . 12.8 p -69.91 -35.21 63.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.75 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.583 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.2 tm-20 -53.86 -45.59 71.01 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.14 0.576 . . . . 0.0 109.888 174.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 62.3 tt0 -59.42 -43.04 93.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.234 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.02 96.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.134 0.492 . . . . 0.0 110.765 175.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.492 HD11 HG21 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -60.56 -49.36 84.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.695 178.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.52 ' HD3' ' N ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -61.4 -36.08 79.31 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.332 -178.54 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.52 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 28.5 mt-30 -62.08 -35.0 77.34 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -21.75 66.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.889 0.376 . . . . 0.0 110.955 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.4 mt -98.75 -24.44 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.966 -175.729 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 175.51 -42.11 0.11 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.599 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.9 104.7 8.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.027 0.441 . . . . 0.0 111.114 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -129.76 91.95 38.82 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 6' ' ' TYR . 18.4 Cg_endo -62.77 154.68 64.31 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.627 2.218 . . . . 0.0 112.319 -176.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 10.9 Cg_exo -71.95 25.07 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.289 2.659 . . . . 0.0 112.947 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.453 ' H ' ' C ' ' A' ' 4' ' ' PRO . 31.9 m-85 -125.65 5.28 7.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.958 0.409 . . . . 0.0 110.006 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.675 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 19.6 m -75.57 139.94 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-O 121.498 0.666 . . . . 0.0 111.957 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 t -130.2 127.34 39.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -87.26 114.7 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.533 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.3 mt -94.23 134.22 36.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.64 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 11' ' ' ARG . 43.0 ttm180 -97.22 100.22 11.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 mm -90.93 127.09 43.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.336 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.04 118.26 18.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.27 0.557 . . . . 0.0 109.724 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.402 HG13 ' HA ' ' A' ' 45' ' ' SER . 75.8 mt -87.68 140.54 31.56 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.169 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.447 ' HD3' HD13 ' A' ' 68' ' ' LEU . 13.4 Cg_exo -60.06 141.52 96.46 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.439 2.093 . . . . 0.0 110.638 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.68 -27.02 67.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.988 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -77.68 -40.06 42.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.633 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.45 126.1 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.006 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.43 137.78 46.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.122 0.487 . . . . 0.0 111.257 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . . . -85.26 99.18 10.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.72 175.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -155.86 -169.61 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.831 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.69 -30.61 70.85 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -40.76 86.57 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.337 0.589 . . . . 0.0 110.73 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.642 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.2 tt -62.04 -45.45 93.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.402 174.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 81.6 tttt -58.06 -53.55 57.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.686 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -66.38 -33.21 61.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 20.6 ptp180 -73.17 -34.86 66.27 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.301 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.2 mt -74.21 -29.85 61.92 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.623 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.62 -8.62 14.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.733 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -98.15 11.05 39.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.574 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 7.0 m -93.25 145.3 24.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.196 -0.315 . . . . 0.0 110.177 -175.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.19 117.66 8.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.864 0.364 . . . . 0.0 111.458 -174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.39 6.46 55.19 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.702 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 28' ' ' LEU . 23.1 m -78.86 138.34 20.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.071 0.463 . . . . 0.0 110.679 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -115.12 -28.77 6.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.209 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 49' ' ' LYS . 9.4 tt0 -169.93 143.38 2.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.196 -175.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.424 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 86.4 t -127.81 125.18 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.795 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.17 140.56 42.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.501 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.02 127.77 53.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.36 86.82 2.63 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.41 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.13 -25.7 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.652 -174.027 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.89 -27.03 64.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.025 0.441 . . . . 0.0 110.147 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -98.82 -6.45 29.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.405 0.621 . . . . 0.0 109.672 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.2 t60 47.8 41.34 14.04 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.639 -170.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.402 ' HA ' HG13 ' A' ' 14' ' ' ILE . 42.1 m -141.23 164.09 31.2 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.203 -176.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.81 142.02 39.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.183 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.551 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 67.4 m-85 -106.91 103.54 13.0 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 171.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.1 t -98.61 122.61 50.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.893 -175.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 28.1 mmtp -83.33 109.46 17.3 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.641 176.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.675 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 32.4 pt -105.35 161.34 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 CA-C-O 121.503 0.668 . . . . 0.0 111.387 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' HB3' HG11 ' A' ' 54' ' ' VAL . 14.5 t70 -96.37 104.72 16.71 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.613 173.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 m -69.78 -2.33 11.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -172.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -89.13 -41.74 12.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.796 0.332 . . . . 0.0 110.447 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 51' ' ' ASP . 8.3 p -91.09 -26.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.763 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 t -137.31 179.45 6.39 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.285 0.564 . . . . 0.0 111.455 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -136.49 145.03 44.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.826 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.575 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 38.3 ttp180 -45.74 -54.31 8.1 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -173.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.94 -42.74 89.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.096 0.407 . . . . 0.0 111.033 -174.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.75 -52.83 63.44 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.521 0.677 . . . . 0.0 110.976 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.534 ' O ' HD11 ' A' ' 64' ' ' ILE . 14.4 p -70.85 -35.62 60.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.341 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.575 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 7.5 tm-20 -56.37 -45.81 80.34 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.528 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 7.3 tp60 -54.59 -44.86 73.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.193 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.48 92.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.735 0.302 . . . . 0.0 110.948 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.534 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.25 -48.77 87.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.71 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.52 ' HD2' ' OE1' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.39 -31.68 72.91 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.342 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 48.2 mt-30 -65.69 -30.5 71.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.741 0.305 . . . . 0.0 111.47 175.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.93 -21.25 66.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.343 0.592 . . . . 0.0 110.184 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.447 HD13 ' HD3' ' A' ' 15' ' ' PRO . 50.4 mt -91.91 -33.52 14.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.38 175.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 66' ' ' GLN . 72.5 mm-40 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.699 -0.667 . . . . 0.0 111.421 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 120.782 0.325 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 86.98 -132.48 11.19 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.57 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -82.47 68.84 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 110.86 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' CD ' ' HZ2' ' A' ' 49' ' ' LYS . 41.7 mt-10 -126.92 142.31 43.18 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.121 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.412 ' C ' ' H ' ' A' ' 6' ' ' TYR . 65.6 Cg_endo -79.56 148.62 20.68 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.61 2.207 . . . . 0.0 111.814 177.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -76.16 25.71 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.883 2.389 . . . . 0.0 112.657 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.412 ' H ' ' C ' ' A' ' 4' ' ' PRO . 87.2 m-85 -117.23 10.92 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.141 0.496 . . . . 0.0 110.24 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.575 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 20.9 m -80.61 139.9 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.362 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -123.42 120.15 32.13 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -79.96 105.62 11.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.003 0.43 . . . . 0.0 110.977 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mt -92.66 129.36 38.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -91.81 107.22 19.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mm -90.58 124.07 43.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -76.73 108.32 9.66 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.414 HG13 ' HA ' ' A' ' 45' ' ' SER . 85.5 mt -78.99 140.2 57.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.412 -171.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -59.9 150.94 75.0 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.694 2.263 . . . . 0.0 110.988 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.35 -31.67 64.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.211 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -77.72 -37.16 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.644 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.83 133.17 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.901 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.23 135.01 35.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.099 0.476 . . . . 0.0 111.112 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . . . -85.69 91.9 8.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.933 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -152.54 -172.77 4.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.289 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 36.6 tt0 -57.58 -30.27 65.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.66 82.73 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.168 0.509 . . . . 0.0 110.682 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.579 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.4 tt -65.6 -39.1 91.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 80.1 tttt -61.67 -52.98 62.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.845 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.3 m -64.0 -32.9 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -72.66 -38.08 67.75 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.527 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 29.8 mt -73.94 -29.77 62.2 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.482 0.182 . . . . 0.0 111.073 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 HD12 ' HE2' ' A' ' 25' ' ' LYS . 17.4 mt -64.69 -4.9 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -98.03 5.66 48.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.644 0.259 . . . . 0.0 111.082 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.583 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 21.6 m -85.2 144.71 27.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.774 0.321 . . . . 0.0 110.376 -174.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.98 109.13 2.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.901 0.382 . . . . 0.0 111.454 -176.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.08 24.17 7.75 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.583 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 27.2 m -91.53 138.09 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.279 0.561 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -113.12 -36.85 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.994 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -168.23 142.49 3.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.58 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.505 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 94.2 t -129.68 121.72 53.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.08 0.467 . . . . 0.0 110.56 -178.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 11.0 mp -109.37 133.35 53.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.05 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -94.75 128.32 46.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 171.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.43 87.62 2.7 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.554 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 1.3 tm-20 -64.96 -26.92 68.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.874 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.82 -34.03 73.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.704 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -100.07 -7.2 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.857 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.9 t60 50.45 40.34 22.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.644 -169.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.414 ' HA ' HG13 ' A' ' 14' ' ' ILE . 18.4 m -137.73 159.4 42.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.674 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.97 133.54 53.07 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.49 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 62.0 m-85 -99.99 102.8 14.27 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.351 174.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -101.24 111.79 32.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.046 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HZ2' ' CD ' ' A' ' 3' ' ' GLU . 74.8 mttt -80.3 118.9 22.37 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 42.7 pt -104.15 168.14 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.756 0 CA-C-O 121.42 0.629 . . . . 0.0 111.599 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.531 ' OD2' ' HB2' ' A' ' 53' ' ' LYS . 33.2 t70 -96.03 104.32 16.26 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.211 -1.359 . . . . 0.0 109.5 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -71.79 3.43 4.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.189 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.531 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 11.6 mmmm -88.66 -47.31 8.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.912 0.387 . . . . 0.0 110.568 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -91.31 -35.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.422 ' HG1' ' HB ' ' A' ' 60' ' ' VAL . 15.2 t -136.18 170.35 16.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.009 0.433 . . . . 0.0 111.58 -170.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -118.24 159.19 23.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.486 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 55.8 ttp180 -47.19 -52.7 15.04 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -175.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -76.28 -39.19 54.9 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.003 -167.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.74 -49.96 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.308 0.575 . . . . 0.0 110.276 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.492 ' O ' HD11 ' A' ' 64' ' ' ILE . 13.1 p -71.82 -36.59 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.642 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.577 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 5.1 tm-20 -58.3 -46.74 85.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.874 0.369 . . . . 0.0 110.007 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.93 -39.77 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.384 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.26 93.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.563 176.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.25 -42.56 93.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.009 173.56 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -56.73 -42.08 78.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.409 176.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.17 -33.86 74.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.155 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.09 -21.76 64.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.848 0.356 . . . . 0.0 111.21 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.91 -19.85 22.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.273 173.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.745 -179.622 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.77 0.319 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 85.19 -156.17 30.61 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.667 -177.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 61.21 67.65 0.78 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.894 0.378 . . . . 0.0 110.642 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -61.51 120.74 58.59 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.033 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.476 ' C ' ' H ' ' A' ' 6' ' ' TYR . 34.8 Cg_endo -68.11 158.42 57.51 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.744 2.296 . . . . 0.0 111.679 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.82 26.57 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.092 2.528 . . . . 0.0 112.865 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.476 ' H ' ' C ' ' A' ' 4' ' ' PRO . 89.9 m-85 -123.43 9.5 9.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.118 0.485 . . . . 0.0 109.811 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.7 m -69.31 100.91 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.818 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -82.38 105.04 13.12 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -77.74 109.77 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.998 0.427 . . . . 0.0 110.771 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.657 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 5.6 mt -85.79 157.51 20.22 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -122.15 98.78 6.09 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.2 mm -89.8 133.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.484 -173.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -76.68 110.23 11.09 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.416 ' HB ' ' CD2' ' A' ' 44' ' ' HIS . 63.6 mt -69.44 136.93 88.54 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.316 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.465 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.2 Cg_exo -57.64 152.32 49.36 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.632 2.221 . . . . 0.0 111.017 175.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.11 77.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.303 0.573 . . . . 0.0 111.027 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -86.39 -36.94 18.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.006 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.22 132.19 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.79 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.43 142.9 38.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.232 0.539 . . . . 0.0 111.69 -176.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.29 86.9 7.14 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.036 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -155.0 -168.16 2.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.567 -174.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.78 -27.99 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.536 0.208 . . . . 0.0 111.005 -177.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.46 88.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.17 0.51 . . . . 0.0 110.562 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.2 tt -66.29 -42.4 88.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.63 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -58.49 -53.36 59.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.342 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.3 -32.11 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 -173.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -69.4 -38.9 78.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.116 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 32.4 mt -76.13 -29.58 57.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.965 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.3 -12.63 14.36 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.714 0.293 . . . . 0.0 111.547 176.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -96.86 12.81 30.86 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.688 ' O ' HG21 ' A' ' 34' ' ' VAL . 22.1 m -95.84 143.09 27.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -63.94 111.76 2.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.889 0.376 . . . . 0.0 111.684 -174.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 106.36 1.05 37.93 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.205 175.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.688 HG21 ' O ' ' A' ' 31' ' ' THR . 28.4 m -78.33 129.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 117.304 0.552 . . . . 0.0 111.016 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -105.56 -25.31 12.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -169.49 142.22 2.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.041 -172.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.5 t -131.62 114.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 7.9 tt -113.46 117.09 30.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.49 -175.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.0 123.26 33.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.169 0.509 . . . . 0.0 110.473 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.48 95.79 5.79 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -31.13 65.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.08 -172.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.25 -43.13 99.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.55 -18.1 58.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.761 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 29.9 t60 53.08 41.79 32.17 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -167.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.9 m -136.68 163.49 30.46 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.478 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.439 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -115.67 125.31 52.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.419 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.657 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 70.7 m-85 -89.28 103.06 15.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.495 0.664 . . . . 0.0 109.342 173.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 54.9 t -104.86 109.47 27.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.807 -177.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.464 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 90.9 mttt -83.99 118.86 24.31 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.532 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 2.2 pt -105.28 162.4 4.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-O 121.57 0.7 . . . . 0.0 110.858 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.451 ' HB3' HG11 ' A' ' 54' ' ' VAL . 19.7 t70 -93.13 97.55 10.74 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.619 174.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 55' ' ' THR . 37.1 p -68.24 0.79 3.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.879 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 31.4 mmmt -88.81 -36.1 16.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.252 176.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.451 HG11 ' HB3' ' A' ' 51' ' ' ASP . 8.5 p -95.49 -30.37 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.011 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.403 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 11.3 t -140.69 179.24 6.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 111.021 -175.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.458 ' O ' HG11 ' A' ' 60' ' ' VAL . 54.6 t30 -128.43 143.91 51.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -178.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.775 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 20.5 ttp180 -45.72 -54.44 7.87 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.511 0.507 . . . . 0.0 111.986 -176.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -47.11 87.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.6 0.238 . . . . 0.0 111.367 -173.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.28 -53.58 50.56 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.393 0.616 . . . . 0.0 111.006 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 50' ' ' ILE . 14.8 p -69.36 -33.9 59.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.533 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.775 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.8 tm-20 -54.4 -48.28 71.77 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.414 0.686 . . . . 0.0 110.241 176.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.56 -37.54 87.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.476 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.73 88.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.585 175.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.516 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.8 OUTLIER -62.74 -43.56 98.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.209 173.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -57.88 -39.46 77.9 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -65.62 -34.2 77.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.342 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.62 -21.79 62.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.457 . . . . 0.0 110.539 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.465 HD13 ' HD3' ' A' ' 15' ' ' PRO . 71.1 mt -88.9 -35.74 16.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.193 174.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.561 178.75 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 71.4 mtm . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.754 0.311 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -164.46 144.12 9.12 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.135 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.449 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 64.6 tttp -79.09 -24.28 43.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.17 0.51 . . . . 0.0 109.731 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -90.44 109.08 31.34 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.301 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 2' ' ' LYS . 62.1 Cg_endo -82.94 154.4 14.92 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.659 2.24 . . . . 0.0 111.843 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 4.1 Cg_exo -76.76 36.42 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.084 2.523 . . . . 0.0 113.305 -175.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -133.21 10.29 4.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.092 0.472 . . . . 0.0 110.049 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.596 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.0 m -84.41 149.98 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.952 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.442 ' HB3' HG12 ' A' ' 50' ' ' ILE . 36.4 t -133.99 111.06 10.1 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 168.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -77.93 114.93 17.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.921 0.391 . . . . 0.0 110.753 -176.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.2 mt -82.44 162.71 22.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.761 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -122.69 97.62 5.54 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -90.79 126.4 43.54 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.464 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 8.0 pt-20 -75.64 113.9 13.61 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 HG13 ' HA ' ' A' ' 45' ' ' SER . 91.5 mt -79.69 141.3 55.72 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.737 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -58.31 143.57 97.16 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.304 2.003 . . . . 0.0 110.855 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -19.63 64.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.11 0.481 . . . . 0.0 110.973 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -83.1 -40.91 19.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.68 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.17 134.93 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.549 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.12 132.9 35.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.12 0.486 . . . . 0.0 110.862 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.01 94.68 6.61 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.257 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -157.28 -171.1 3.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.706 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.22 -30.47 66.52 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.11 89.95 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.232 0.539 . . . . 0.0 110.477 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.1 tt -62.74 -39.96 95.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.617 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 77.0 tttt -60.83 -53.3 58.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.364 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.87 -34.96 73.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -70.65 -38.64 73.85 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.702 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.6 mt -73.62 -30.02 62.72 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.577 0.227 . . . . 0.0 110.934 177.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 HD12 ' HE2' ' A' ' 25' ' ' LYS . 23.5 mt -60.47 -23.66 64.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.612 0.244 . . . . 0.0 111.105 175.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -85.56 13.86 6.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.768 0.318 . . . . 0.0 111.475 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.422 ' HB ' HG23 ' A' ' 34' ' ' VAL . 42.6 m -98.26 135.71 39.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.63 115.95 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.556 -173.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 106.4 -2.9 37.13 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.694 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.422 HG23 ' HB ' ' A' ' 31' ' ' THR . 59.3 t -78.86 122.41 33.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.839 0.352 . . . . 0.0 111.363 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -94.22 -31.35 14.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.594 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -168.14 146.23 4.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.985 -174.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.517 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 96.0 t -130.0 113.67 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.062 0.458 . . . . 0.0 109.784 178.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 7.2 tt -106.83 119.07 38.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.046 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.03 118.55 27.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.078 0.466 . . . . 0.0 110.06 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.35 87.93 3.76 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 172.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.64 -33.66 76.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.87 -172.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.23 -23.44 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.046 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -101.18 -13.41 18.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.412 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.1 t60 55.71 39.75 30.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.921 -171.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.4 ' HA ' HG13 ' A' ' 14' ' ' ILE . 28.3 t -142.76 159.92 41.32 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.648 -174.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.63 127.75 55.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.852 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.649 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 15.0 m-85 -91.85 103.17 15.75 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.2 t -105.13 111.44 34.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.565 -174.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -79.87 121.78 25.85 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.071 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 26.6 pt -104.69 149.97 7.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.639 -178.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.469 ' HB3' HG11 ' A' ' 54' ' ' VAL . 13.6 t70 -86.3 106.25 17.23 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.692 171.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -68.13 -4.83 15.01 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -173.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -89.18 -39.18 13.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.57 0.224 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' A' ' 51' ' ' ASP . 12.3 p -92.63 -30.87 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.587 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.406 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 11.8 t -139.08 -174.93 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.162 0.506 . . . . 0.0 111.673 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -141.67 151.18 42.79 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.74 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 4.7 ttp180 -47.48 -55.52 8.91 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -62.12 -41.49 98.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 -173.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -65.44 -53.54 41.48 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.452 0.644 . . . . 0.0 110.953 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.514 ' O ' HD11 ' A' ' 64' ' ' ILE . 14.1 p -69.68 -35.47 65.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.067 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.74 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -54.8 -45.01 74.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.53 0.732 . . . . 0.0 109.911 175.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.614 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 7.9 tt0 -56.77 -48.72 77.23 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.092 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.73 79.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.31 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -63.62 -48.44 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.594 178.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.1 ppt_? -64.29 -35.73 81.78 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 120.421 -0.511 . . . . 0.0 111.427 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -64.76 -33.47 76.06 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.565 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.01 -21.83 65.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.138 0.494 . . . . 0.0 110.562 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.7 mt -94.24 -29.11 15.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.476 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.704 -178.45 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 121.272 0.558 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -168.76 55.04 0.21 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.226 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -56.04 124.74 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.276 -0.462 . . . . 0.0 111.314 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -109.32 102.66 50.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.228 177.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.79 156.34 31.17 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.563 2.175 . . . . 0.0 111.409 175.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.04 33.97 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 123.017 2.478 . . . . 0.0 113.027 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -134.57 13.28 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.42 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.617 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 20.6 m -78.48 147.33 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.604 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.466 ' HB2' HG12 ' A' ' 50' ' ' ILE . 10.4 m -124.44 116.68 22.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 167.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 m -81.45 100.61 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.178 0.513 . . . . 0.0 110.905 -177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.6 mt -79.65 149.47 31.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.825 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -112.14 99.76 8.31 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mm -90.17 134.11 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.026 -174.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -84.72 108.9 17.66 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.451 ' HB ' ' CD2' ' A' ' 44' ' ' HIS . 66.5 mt -65.81 139.66 96.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.198 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HB2' HD11 ' A' ' 18' ' ' ILE . 25.2 Cg_exo -56.7 145.64 81.24 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.64 2.227 . . . . 0.0 110.821 176.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.55 -23.96 66.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.626 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -89.18 -32.31 17.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.101 0.476 . . . . 0.0 110.944 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 15' ' ' PRO . 1.5 mp -77.43 134.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.964 -177.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.07 142.73 30.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.088 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.27 96.7 2.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.96 -177.23 6.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.402 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.39 -25.76 66.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.373 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.45 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.111 0.481 . . . . 0.0 110.425 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.1 tt -59.39 -45.33 91.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.623 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 81.4 tttt -61.54 -48.12 82.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.548 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.2 m -64.99 -32.18 57.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.405 -176.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -64.58 -53.12 52.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.117 0.484 . . . . 0.0 110.125 173.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.716 ' O ' HG12 ' A' ' 34' ' ' VAL . 19.0 mt -68.73 -29.48 67.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.622 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.9 -6.96 13.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 111.465 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -106.84 17.02 23.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.21 175.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.54 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 82.6 m -92.08 143.49 26.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.796 0.331 . . . . 0.0 110.318 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.29 107.43 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 111.801 -174.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.34 10.93 28.53 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.947 -0.569 . . . . 0.0 113.111 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 28' ' ' LEU . 32.7 m -80.27 145.23 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.964 0.411 . . . . 0.0 111.126 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 32.2 mmmt -117.02 -31.92 5.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.065 173.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -169.42 141.23 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.178 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.506 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 97.9 t -120.6 130.01 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.361 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 6.5 mp -116.18 141.2 48.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.721 178.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -99.98 133.2 43.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 120.939 0.399 . . . . 0.0 110.288 175.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.28 82.92 1.92 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.413 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 27.6 mt-10 -58.61 -38.27 77.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.619 -176.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.24 -38.37 90.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.747 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -88.94 -8.13 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.102 0.477 . . . . 0.0 110.765 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.451 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 9.8 t60 55.04 42.55 30.84 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.6 -171.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -135.43 175.86 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.559 -172.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.81 136.28 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.93 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.609 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 65.8 m-85 -103.32 104.93 15.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.218 0.532 . . . . 0.0 109.996 174.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 56.7 t -105.16 113.21 41.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -83.66 122.48 28.67 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.928 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 5.5 pt -105.5 156.45 6.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.776 -175.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' HB2' ' HD3' ' A' ' 35' ' ' LYS . 34.1 t70 -87.2 99.09 11.69 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.7 p -68.21 1.34 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.13 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 9.3 mmpt? -88.49 -39.14 14.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.84 -27.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.463 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 t -144.02 176.73 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.707 0.289 . . . . 0.0 110.856 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' HG11 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -127.29 162.87 25.21 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 173.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.637 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 37.6 ttp180 -46.32 -53.37 10.96 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -175.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.27 -43.69 77.23 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.183 -171.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.73 -52.56 64.59 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.987 0.423 . . . . 0.0 111.036 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.507 ' O ' HD11 ' A' ' 64' ' ' ILE . 14.0 p -67.94 -36.43 75.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.417 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.637 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 6.7 tm-20 -57.35 -47.92 80.36 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.808 0.443 . . . . 0.0 110.174 177.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 35.9 tt0 -57.71 -40.93 80.68 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.244 177.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.81 87.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.661 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.507 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -62.08 -50.19 81.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.539 178.121 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -62.56 -35.03 78.19 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.141 -179.051 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 27.6 mt-30 -64.21 -36.46 84.15 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.97 -25.84 65.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.32 0.581 . . . . 0.0 110.062 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.18 -41.45 10.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.374 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 83.3 mtp . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -118.1 -96.03 1.78 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.12 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -129.61 122.25 28.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -127.23 97.09 32.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.913 0.387 . . . . 0.0 111.078 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.78 145.73 76.1 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.895 2.397 . . . . 0.0 111.331 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.22 37.73 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 123.17 2.58 . . . . 0.0 112.85 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -133.07 5.35 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.739 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.638 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.7 m -85.44 139.8 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.729 -0.668 . . . . 0.0 112.711 -175.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.453 ' HB2' HG12 ' A' ' 50' ' ' ILE . 21.8 m -119.29 120.95 38.48 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 164.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 p -85.5 114.8 22.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.031 0.443 . . . . 0.0 111.034 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.653 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 5.2 mt -95.3 144.26 26.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.51 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -104.61 103.74 13.45 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.1 mm -92.43 131.34 39.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.153 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -76.86 112.26 13.27 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.406 ' HB ' ' CD2' ' A' ' 44' ' ' HIS . 74.8 mt -72.68 140.95 81.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -62.06 152.8 73.36 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.471 2.114 . . . . 0.0 110.787 173.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.43 59.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.18 -35.12 56.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.256 0.55 . . . . 0.0 110.328 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.95 133.25 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.082 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.61 136.19 34.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.326 0.584 . . . . 0.0 111.116 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.42 94.28 8.48 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.104 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -159.29 -172.74 3.86 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 41.7 tt0 -56.77 -31.18 64.36 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.67 86.37 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.0 0.429 . . . . 0.0 110.886 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.2 tt -64.89 -41.31 95.72 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 80.7 tttt -59.12 -53.01 63.16 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.098 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.56 -34.77 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -71.51 -37.18 71.24 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.868 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.646 ' O ' HG12 ' A' ' 34' ' ' VAL . 30.6 mt -74.65 -29.05 61.11 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 120.837 0.351 . . . . 0.0 110.752 177.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD12 ' HE2' ' A' ' 25' ' ' LYS . 25.7 mt -65.83 -5.16 8.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 111.257 174.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -97.77 7.87 45.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.047 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.561 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 32.8 m -88.33 143.97 26.69 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 -177.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.47 114.18 4.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 0.0 111.292 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.8 24.13 12.47 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.004 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 28' ' ' LEU . 26.8 m -90.49 134.28 29.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.196 0.522 . . . . 0.0 111.028 178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 71.2 mmtt -106.41 -36.74 6.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.296 174.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -168.74 140.96 2.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.386 -174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.419 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.6 t -123.81 125.8 71.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.998 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.43 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 9.2 tt -118.18 131.55 56.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.818 -178.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -92.44 121.6 43.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.11 0.481 . . . . 0.0 110.003 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.59 83.04 1.8 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.656 175.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -20.4 65.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.785 0.326 . . . . 0.0 110.631 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.0 -29.96 68.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.193 173.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -115.94 0.41 13.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.844 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.406 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 38.7 t60 48.68 40.77 16.51 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.838 0.828 . . . . 0.0 109.389 -170.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -129.88 164.58 23.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.348 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -118.5 131.81 56.23 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.239 178.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 7.7 m-85 -99.49 103.41 15.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.474 0.654 . . . . 0.0 109.542 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.86 114.01 41.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.897 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 91.7 mttt -88.21 122.27 31.56 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.418 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.638 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 10.2 pt -104.44 155.52 5.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.67 -173.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.483 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 36.0 t70 -81.7 99.21 8.8 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 170.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 m -69.05 2.0 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.582 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -88.13 -43.06 11.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.575 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.4 p -89.82 -32.04 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 t -143.95 179.52 7.13 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.055 -174.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -126.99 161.12 29.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 46.9 ttp180 -46.85 -51.54 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -174.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.2 -41.11 64.17 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.998 -167.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -64.37 -48.16 76.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.489 ' O ' HD11 ' A' ' 64' ' ' ILE . 11.2 p -68.16 -37.89 78.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.325 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.535 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -53.35 -46.89 69.71 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.12 0.486 . . . . 0.0 109.777 174.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 8.3 tt0 -54.66 -46.25 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.253 177.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.05 77.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.489 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -65.96 -47.64 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.32 177.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 6.8 ppt_? -65.86 -33.05 74.96 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.235 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.1 mt-30 -68.36 -29.44 68.16 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.49 175.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.91 75.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.183 0.516 . . . . 0.0 109.67 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.8 mt -77.58 -26.65 50.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.482 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.816 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 77.98 -110.39 3.03 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.654 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.11 -4.91 28.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.212 0.529 . . . . 0.0 109.864 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -113.28 105.25 55.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.719 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.484 ' HG2' ' HE2' ' A' ' 35' ' ' LYS . 39.1 Cg_exo -61.92 152.59 74.02 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.653 2.235 . . . . 0.0 111.915 175.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -74.01 9.04 1.82 Allowed 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.068 2.512 . . . . 0.0 112.753 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -111.09 9.32 22.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.94 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.732 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.9 m -79.29 149.76 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-O 121.31 0.576 . . . . 0.0 111.898 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.45 ' HB3' HG12 ' A' ' 50' ' ' ILE . 13.2 t -133.76 112.58 11.48 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 168.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -79.2 100.93 7.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.947 0.403 . . . . 0.0 110.702 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.6 mt -79.5 127.14 31.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.184 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 24.5 ttp180 -87.99 104.58 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -91.76 128.43 43.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.765 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -77.96 108.99 11.62 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 45' ' ' SER . 92.7 mt -73.58 139.95 78.25 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.947 -173.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -59.81 154.11 52.06 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.551 2.168 . . . . 0.0 111.276 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.22 -41.73 73.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.338 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.73 -28.03 44.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.539 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.73 131.89 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.01 131.82 35.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.095 0.474 . . . . 0.0 110.776 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.45 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . . . -79.69 92.29 5.37 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.986 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -154.74 -168.4 2.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.314 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.37 -30.8 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.26 88.92 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.003 0.43 . . . . 0.0 110.857 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.641 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.2 tt -64.25 -41.57 96.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.404 0.621 . . . . 0.0 109.569 175.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 82.6 tttt -60.08 -52.18 66.45 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.241 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.413 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 33.2 m -66.74 -35.78 75.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -173.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -68.78 -35.88 77.6 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.412 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.3 mt -76.26 -30.55 57.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.003 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.8 mt -63.61 -20.26 65.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.54 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 8.9 mm-40 -82.69 10.96 6.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 0.0 111.374 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.415 ' HB ' ' CG2' ' A' ' 34' ' ' VAL . 3.2 m -96.7 147.75 23.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.932 0.396 . . . . 0.0 110.59 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.412 ' H ' HG23 ' A' ' 31' ' ' THR . 7.6 tp10 -76.89 119.84 21.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.312 -173.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.0 -10.07 40.18 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.444 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.415 ' CG2' ' HB ' ' A' ' 31' ' ' THR . 97.2 t -71.74 125.85 31.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.384 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' HE2' ' HG2' ' A' ' 4' ' ' PRO . 32.3 mmmt -97.79 -32.32 11.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.239 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -170.25 141.02 1.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.455 -177.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.509 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 97.3 t -117.76 128.25 74.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.965 0.412 . . . . 0.0 110.402 178.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 8.9 mp -110.75 140.5 45.1 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.75 128.83 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.15 86.76 2.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.818 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 1.1 mm-40 -63.43 -23.5 67.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 110.595 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.61 -33.67 71.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.481 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -108.73 -7.27 15.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.6 t60 54.4 40.25 31.62 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.625 -171.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.431 ' HA ' HG13 ' A' ' 14' ' ' ILE . 67.7 m -140.67 162.04 36.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.869 -177.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -110.81 147.94 33.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.404 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.5 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 40.5 m-85 -112.76 103.73 11.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.285 0.564 . . . . 0.0 109.621 170.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.8 t -100.01 110.76 27.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.336 -176.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -80.36 120.95 25.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.297 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.732 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 15.8 pt -105.07 149.34 8.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.44 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' HB3' HG11 ' A' ' 54' ' ' VAL . 22.5 t70 -88.64 107.53 18.97 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 169.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 m -64.9 -11.21 35.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.227 -174.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -83.87 -31.23 25.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.549 0.214 . . . . 0.0 111.198 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 51' ' ' ASP . 10.6 p -105.13 -32.02 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -126.88 176.91 6.94 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.639 -173.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -129.77 141.8 50.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.532 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.588 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 43.2 ttp180 -47.09 -54.04 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.68 -42.92 81.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -173.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.03 -45.91 83.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.329 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.577 ' O ' HD11 ' A' ' 64' ' ' ILE . 7.8 p -70.22 -40.16 77.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 5.6 tm-20 -53.73 -45.18 70.42 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.235 0.614 . . . . 0.0 109.579 174.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 8.4 tt0 -54.58 -49.09 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.291 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.38 90.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.577 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.6 -50.04 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.66 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -63.46 -35.88 81.91 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.236 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.3 mt-30 -63.37 -27.5 69.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.066 0.46 . . . . 0.0 111.263 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 64' ' ' ILE . . . -71.11 -21.81 62.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.724 176.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -94.78 -34.47 12.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.199 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.364 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 50.6 tpp . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.803 0.335 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -152.76 41.75 0.69 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.422 ' HZ1' ' HB2' ' A' ' 2' ' ' LYS . 9.3 mtmp? 62.05 58.79 1.79 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 122.932 0.493 . . . . 0.0 110.788 -178.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.69 123.62 77.79 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.435 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 6' ' ' TYR . 60.3 Cg_endo -77.34 156.88 33.09 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.518 2.145 . . . . 0.0 111.724 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.07 35.87 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.044 2.496 . . . . 0.0 112.804 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.415 ' H ' ' C ' ' A' ' 4' ' ' PRO . 97.8 m-85 -128.81 -0.83 5.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.6 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 18.5 m -79.32 131.25 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 121.271 0.557 . . . . 0.0 110.678 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 t -118.34 122.22 42.33 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -84.23 113.16 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.896 0.379 . . . . 0.0 110.335 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.4 mt -99.6 124.06 44.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.425 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 35.4 ttm180 -84.85 102.66 13.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mm -91.06 126.22 43.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.368 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -76.42 111.86 12.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.054 0.454 . . . . 0.0 109.881 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 45' ' ' SER . 80.0 mt -78.22 142.5 63.59 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.519 -176.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -57.51 144.82 91.18 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.569 2.179 . . . . 0.0 110.659 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.38 -24.0 65.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.269 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.32 -39.88 17.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.563 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.29 132.44 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.275 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.85 134.41 35.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.159 0.504 . . . . 0.0 111.716 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.02 95.5 3.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.632 174.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -159.67 -169.86 2.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.55 -28.77 69.57 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -175.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.9 84.8 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.473 0.654 . . . . 0.0 110.094 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 1.3 tp -63.06 -44.58 95.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.344 174.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HA ' HG12 ' A' ' 37' ' ' VAL . 82.1 tttt -58.14 -52.94 63.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.525 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.0 -32.93 60.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -72.57 -37.02 68.32 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.378 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 39.7 mt -76.1 -29.87 58.07 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.014 178.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' O ' HG21 ' A' ' 34' ' ' VAL . 15.9 mt -64.25 -11.89 35.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 177.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -97.56 14.74 25.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.599 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 19.7 m -89.96 143.83 26.44 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.34 111.81 2.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.411 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.9 14.14 29.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.101 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.599 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 30.1 m -83.09 149.73 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.941 0.401 . . . . 0.0 110.631 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 70.6 mmtt -117.87 -37.63 3.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.413 173.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -168.37 140.92 2.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.499 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 25' ' ' LYS . 99.5 t -118.74 120.53 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.365 0.603 . . . . 0.0 111.325 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.9 mp -100.76 140.88 34.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.837 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -100.1 133.65 42.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.965 0.412 . . . . 0.0 110.071 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.03 81.15 1.94 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.983 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.29 -31.09 70.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.422 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.47 -25.31 67.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.378 0.608 . . . . 0.0 110.466 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -110.81 -2.27 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.345 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 t60 50.78 39.86 23.15 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.608 -171.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' HA ' HG13 ' A' ' 14' ' ' ILE . 67.5 m -138.64 166.88 23.21 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.729 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -114.34 154.94 27.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.393 177.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.515 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 69.8 m-85 -118.23 103.17 9.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.457 0.646 . . . . 0.0 109.784 169.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.8 t -99.84 114.12 37.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.36 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -80.78 119.12 22.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 33.6 pt -105.21 166.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.47 0.652 . . . . 0.0 111.435 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 29.7 t70 -97.36 105.27 17.39 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.657 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -70.7 -0.65 9.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.817 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -87.97 -29.13 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 0.0 110.703 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -109.33 -27.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -139.79 176.84 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.881 -175.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -127.82 142.72 51.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.137 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 34.7 ttp180 -46.04 -54.94 7.58 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -172.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.77 -36.67 80.9 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.067 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -68.44 -52.18 35.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.577 -179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.504 HG21 HD11 ' A' ' 64' ' ' ILE . 14.9 p -66.76 -33.7 65.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.512 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -55.86 -45.43 78.48 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 8.1 tt0 -61.11 -39.12 88.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.669 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.87 90.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.89 0.376 . . . . 0.0 110.652 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.504 HD11 HG21 ' A' ' 60' ' ' VAL . 0.7 OUTLIER -62.98 -47.55 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.296 177.423 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -62.77 -34.19 76.72 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.341 -179.054 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.89 -33.07 75.0 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.806 0.336 . . . . 0.0 111.584 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.26 -21.24 65.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.264 0.554 . . . . 0.0 110.282 175.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.0 mt -93.9 -40.27 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.924 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.789 -178.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.749 0.309 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -83.83 -80.05 1.05 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.299 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -87.81 -54.1 4.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.819 0.342 . . . . 0.0 110.808 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -97.95 132.68 24.29 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.671 -174.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' HD3' ' HE2' ' A' ' 35' ' ' LYS . 96.1 Cg_endo -84.29 167.13 12.26 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.157 2.571 . . . . 0.0 111.22 174.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -67.27 -0.76 5.33 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.022 2.481 . . . . 0.0 112.601 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -99.84 -1.87 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.696 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.505 HG22 ' HB3' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -59.67 142.35 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.147 -175.622 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 m -134.39 124.63 26.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.326 172.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 p -91.92 101.48 14.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.94 0.4 . . . . 0.0 110.803 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.537 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.6 mt -79.99 133.36 36.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.419 -177.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -92.83 106.04 18.07 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.25 132.58 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.108 -178.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 8.0 pt-20 -81.24 108.61 15.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.51 0.672 . . . . 0.0 109.828 175.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 HG13 ' HA ' ' A' ' 45' ' ' SER . 75.8 mt -72.56 137.22 80.58 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.162 -176.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -54.56 142.73 70.73 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.69 2.26 . . . . 0.0 111.341 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.51 -25.0 67.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.72 -29.85 25.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mp -84.14 133.51 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.19 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.68 141.67 32.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.56 95.46 5.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.617 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.68 -175.81 5.6 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.451 -177.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.16 -28.01 69.46 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.88 83.14 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.497 0.665 . . . . 0.0 110.274 177.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.1 tt -61.31 -45.19 95.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.366 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 81.6 tttt -58.49 -52.39 65.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.674 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.46 -34.75 71.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -73.83 -36.11 64.91 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.509 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.672 ' O ' HG12 ' A' ' 34' ' ' VAL . 34.2 mt -73.67 -29.81 62.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.749 0.309 . . . . 0.0 110.403 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.99 -4.88 5.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.721 0.296 . . . . 0.0 111.488 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -105.94 8.69 32.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.149 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.585 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 16.9 m -87.22 144.43 26.82 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.009 0.433 . . . . 0.0 109.962 -177.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.52 110.79 2.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.326 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.52 3.01 35.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.995 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 28' ' ' LEU . 21.9 m -76.6 142.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.289 0.566 . . . . 0.0 110.93 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HE2' ' HD3' ' A' ' 4' ' ' PRO . 31.9 mmmt -113.56 -37.14 4.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.484 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -169.21 140.78 2.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.942 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.446 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 87.7 t -120.59 126.33 75.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.098 0.475 . . . . 0.0 110.925 -177.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.6 mp -109.41 140.76 42.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.15 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -106.42 131.1 57.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.957 0.408 . . . . 0.0 110.298 174.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.15 89.88 3.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.43 -38.94 85.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.696 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.36 -35.33 80.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.761 0.315 . . . . 0.0 110.948 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -90.0 -7.15 54.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.482 . . . . 0.0 110.382 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 51.75 38.91 24.25 Favored 'General case' 0 C--N 1.335 -0.062 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.678 -172.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.4 ' HA ' HG13 ' A' ' 14' ' ' ILE . 25.3 m -139.76 160.76 39.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.186 -176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.79 149.01 37.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.356 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 94.6 m-85 -113.49 104.13 11.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.216 0.531 . . . . 0.0 109.589 171.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -100.96 113.73 37.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.609 -176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HB3' HG22 ' A' ' 7' ' ' VAL . 79.1 mttt -80.91 121.31 25.83 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.209 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 35.2 pt -105.9 165.27 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.49 0.662 . . . . 0.0 111.549 -178.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' HB3' HG11 ' A' ' 54' ' ' VAL . 18.4 t70 -103.62 100.34 10.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.942 -1.481 . . . . 0.0 108.685 172.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.568 ' HA ' ' O ' ' A' ' 55' ' ' THR . 24.1 p -67.65 -1.45 5.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -173.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 13.1 mmmm -88.96 -37.46 15.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.776 0.322 . . . . 0.0 111.085 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.439 HG11 ' HB3' ' A' ' 51' ' ' ASP . 8.0 p -91.28 -27.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.568 ' O ' ' HA ' ' A' ' 52' ' ' SER . 11.3 t -154.98 157.73 38.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.382 -177.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -102.3 164.43 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 40.7 ttp180 -46.73 -55.44 7.81 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 123.741 0.651 . . . . 0.0 112.726 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.72 -43.03 94.71 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.351 -165.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -63.41 -52.8 60.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 111.36 -177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.543 ' O ' HD11 ' A' ' 64' ' ' ILE . 14.7 p -70.75 -37.36 68.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 34.5 tt0 -57.76 -43.95 85.79 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.386 0.674 . . . . 0.0 110.198 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 29.4 tt0 -58.91 -44.33 91.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.178 176.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.99 96.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.543 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.33 -48.33 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.624 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.7 ppt_? -66.09 -35.54 80.78 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.273 -0.571 . . . . 0.0 111.143 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 28.5 mt-30 -65.47 -32.41 74.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.737 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.3 -22.71 65.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.217 0.532 . . . . 0.0 110.167 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.7 mt -91.0 -31.04 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.469 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.859 -179.408 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 88.27 9.14 70.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.392 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -93.48 141.92 27.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.592 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -74.93 133.85 75.49 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.062 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.634 ' O ' HG21 ' A' ' 7' ' ' VAL . 33.1 Cg_exo -58.65 137.6 81.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.472 2.115 . . . . 0.0 111.656 -176.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -63.49 1.55 1.28 Allowed 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.025 2.483 . . . . 0.0 113.791 -174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -105.89 1.0 26.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.634 HG21 ' O ' ' A' ' 4' ' ' PRO . 33.8 m -83.22 138.91 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 120.981 0.42 . . . . 0.0 110.605 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 m -123.94 112.69 17.52 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -82.1 111.77 18.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.092 0.472 . . . . 0.0 109.786 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 HD21 ' HG3' ' A' ' 57' ' ' ARG . 10.0 mt -95.41 127.29 41.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.084 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -87.63 102.15 14.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.172 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -91.87 128.89 43.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.969 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -77.42 110.47 12.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.876 0.37 . . . . 0.0 110.08 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' A' ' 45' ' ' SER . 67.2 mt -69.46 139.28 89.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.388 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -59.87 157.37 33.76 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.768 2.312 . . . . 0.0 111.073 175.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.52 -34.78 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.904 0.383 . . . . 0.0 110.686 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.46 -43.48 32.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.578 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.02 130.79 33.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.459 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.18 143.42 32.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.168 0.509 . . . . 0.0 111.483 -177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.73 91.49 8.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.182 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -153.79 -173.48 4.59 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.239 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.9 -32.46 71.92 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.79 83.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.473 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.529 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 10.1 tt -61.52 -43.72 98.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.25 175.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HA ' HG12 ' A' ' 37' ' ' VAL . 78.5 tttt -60.31 -54.16 49.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.649 -178.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.421 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.7 m -66.53 -32.04 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.086 -172.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.18 -36.14 64.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.303 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 34.4 mt -73.45 -29.12 62.35 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.571 175.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.7 mt -64.26 -6.12 6.27 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.498 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 42.5 mt-10 -100.28 16.66 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.611 0.243 . . . . 0.0 111.04 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.581 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 10.1 m -94.63 144.74 25.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -177.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.89 110.74 5.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.108 0.48 . . . . 0.0 111.317 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.81 17.82 13.82 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.609 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.581 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 35.3 m -85.44 142.66 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.345 0.593 . . . . 0.0 111.395 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -110.65 -38.39 5.18 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.677 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -170.45 140.58 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.645 -175.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.469 HG21 HG13 ' A' ' 48' ' ' VAL . 95.0 t -118.21 128.22 75.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.998 0.428 . . . . 0.0 110.667 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.4 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.9 mp -112.68 140.32 47.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.037 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.07 120.14 50.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 171.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.27 87.23 2.83 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -64.25 -39.29 93.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 -171.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.37 -30.2 69.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.312 0.577 . . . . 0.0 110.425 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -88.78 -11.16 45.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.36 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t60 53.83 36.37 23.9 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.131 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.423 ' HA ' HG13 ' A' ' 14' ' ' ILE . 48.7 m -138.22 165.68 26.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.429 -175.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.01 144.82 43.01 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 59.8 m-85 -111.53 103.21 11.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.483 0.658 . . . . 0.0 109.501 171.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.469 HG13 HG21 ' A' ' 37' ' ' VAL . 32.9 t -101.34 110.04 27.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.976 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -83.34 122.12 28.04 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.497 HG23 HG12 ' A' ' 60' ' ' VAL . 44.6 pt -105.1 161.6 4.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.687 0.756 . . . . 0.0 111.57 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.03 100.78 13.18 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.74 -1.573 . . . . 0.0 108.091 173.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 m -70.37 0.78 5.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.358 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -88.66 -38.06 15.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.0 110.645 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.8 p -95.46 -34.74 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -126.88 -179.9 5.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.1 0.476 . . . . 0.0 111.584 -172.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -134.6 137.45 43.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.45 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.711 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 4.0 ttp180 -45.83 -54.71 7.63 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.32 -45.28 92.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -172.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -66.14 -49.21 68.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.332 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.57 ' O ' HD11 ' A' ' 64' ' ' ILE . 12.3 p -68.17 -36.47 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.193 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.711 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 8.3 tm-20 -54.76 -45.65 74.23 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.399 0.68 . . . . 0.0 109.779 175.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.577 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 28.1 tt0 -55.55 -49.79 71.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.238 176.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.25 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 0.0 111.013 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.57 HD11 ' O ' ' A' ' 60' ' ' VAL . 0.9 OUTLIER -64.6 -49.79 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.403 178.504 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 7.2 ppt_? -62.54 -38.33 89.58 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.401 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 21.9 mt-30 -60.82 -37.78 83.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.554 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.49 82.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.833 0.349 . . . . 0.0 110.286 175.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -77.24 -32.98 56.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.878 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.016 -178.519 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.625 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.2 m . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.312 0.577 . . . . 0.0 111.784 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -118.33 117.93 30.41 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -82.47 108.04 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.062 0.458 . . . . 0.0 110.77 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.657 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.3 mt -81.78 148.67 28.77 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -109.44 98.36 7.77 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -90.74 135.87 25.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.915 -176.061 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.38 115.05 21.24 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.465 HG23 ' HD2' ' A' ' 15' ' ' PRO . 58.1 mt -66.55 138.35 95.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.32 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.465 ' HD2' HG23 ' A' ' 14' ' ' ILE . 22.4 Cg_exo -56.29 152.15 40.35 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.67 2.246 . . . . 0.0 111.155 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -25.42 65.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.824 -175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -93.25 -28.65 16.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.211 0.529 . . . . 0.0 110.617 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.57 139.26 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.114 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.77 151.0 21.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.952 0.406 . . . . 0.0 111.121 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 41' ' ' GLU . . . -76.21 86.72 3.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.455 173.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -142.28 177.3 8.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.715 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.42 -25.86 66.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.91 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.69 90.66 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.198 0.523 . . . . 0.0 110.098 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 10.2 tt -60.95 -39.86 91.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.609 174.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HB2' HD13 ' A' ' 39' ' ' ILE . 79.2 tttt -64.93 -53.59 43.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.476 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.97 -33.82 62.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -71.84 -39.12 69.98 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.546 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.1 mt -74.37 -29.81 61.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.456 -0.152 . . . . 0.0 111.268 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.522 HD11 ' HE2' ' A' ' 25' ' ' LYS . 16.0 mt -65.96 -9.44 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.625 0.25 . . . . 0.0 111.635 177.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -95.72 14.4 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.601 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 13.9 m -93.6 144.31 25.5 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -67.23 114.04 5.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.018 0.437 . . . . 0.0 111.274 -175.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.48 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 103.81 8.87 38.84 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.927 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.601 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.3 m -78.25 137.65 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.082 0.468 . . . . 0.0 111.061 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -114.12 -26.49 8.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.286 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -168.17 144.17 3.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.925 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.604 HG22 HG13 ' A' ' 48' ' ' VAL . 88.2 t -128.53 112.66 27.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -107.0 117.15 33.31 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.626 -176.827 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.5 mp -76.74 129.63 37.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-O 121.156 0.503 . . . . 0.0 110.124 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.93 85.36 2.1 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 20' ' ' ALA . 37.3 mt-10 -59.79 -40.32 87.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.05 -22.39 59.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.342 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -100.27 -7.18 24.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.04 0.448 . . . . 0.0 110.934 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 21.3 t60 53.77 40.24 31.26 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.288 -173.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.8 m -138.42 170.98 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.003 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -128.28 129.12 45.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.225 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.657 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 34.0 m-85 -99.81 102.85 14.4 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.289 0.566 . . . . 0.0 109.663 174.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.604 HG13 HG22 ' A' ' 37' ' ' VAL . 21.3 t -104.74 117.02 49.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.188 -176.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -82.82 126.11 32.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.02 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.625 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 26.5 pt -104.11 149.9 7.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.391 -177.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' A' ' 53' ' ' LYS . 14.2 t70 -93.03 103.86 16.13 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.114 173.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.4 m -69.74 1.32 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -174.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 30.1 mmmt -88.28 -28.36 21.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.152 -0.343 . . . . 0.0 110.597 176.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -110.34 -39.7 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.48 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 14.9 t -128.18 161.23 29.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.158 0.504 . . . . 0.0 111.673 -171.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 60' ' ' VAL . 43.2 t30 -114.33 147.53 38.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.414 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.603 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 53.1 ttp180 -47.18 -54.53 10.44 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -173.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -63.63 -44.74 93.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.816 0.341 . . . . 0.0 110.724 -175.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.06 -51.67 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.052 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.577 ' O ' HD12 ' A' ' 64' ' ' ILE . 13.5 p -68.42 -37.15 77.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.603 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.2 tm-20 -55.46 -48.87 73.82 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.224 0.61 . . . . 0.0 109.908 176.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 35.4 tt0 -56.55 -43.52 80.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.702 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.23 83.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -61.33 -45.89 97.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.526 178.533 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 6.1 ppt_? -68.28 -32.26 72.29 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.4 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 57.0 mt-30 -65.66 -28.79 69.34 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.555 176.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.28 -21.14 62.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.308 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.421 HD13 ' HD3' ' A' ' 15' ' ' PRO . 54.7 mt -91.66 -39.64 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.056 175.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.517 178.903 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.624 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.0 m . . . . . 0 N--CA 1.447 -0.595 0 CA-C-O 121.421 0.629 . . . . 0.0 111.87 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -117.53 115.88 26.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.84 171.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -82.76 108.44 16.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 0.0 110.978 -176.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.61 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 6.8 mt -90.18 135.72 33.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.986 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -97.98 99.62 10.92 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mm -91.06 128.42 42.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.155 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.03 108.45 12.53 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.548 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.2 mt -68.25 139.38 92.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.548 ' HD2' HG23 ' A' ' 14' ' ' ILE . 21.5 Cg_exo -55.34 157.38 14.61 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 123.083 2.522 . . . . 0.0 111.542 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.64 -19.53 60.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.983 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -92.77 -41.81 9.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.922 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.431 HD13 ' HG2' ' A' ' 15' ' ' PRO . 2.1 mp -71.18 128.96 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.846 -177.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 143.96 32.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.139 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -79.42 90.98 5.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.085 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -151.26 -175.18 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.913 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.41 -30.94 68.82 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.06 -42.44 80.57 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.264 0.554 . . . . 0.0 110.612 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.5 tt -61.79 -42.05 98.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.541 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.6 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.4 tttt -61.32 -53.27 58.9 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.604 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -63.42 -34.67 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -73.48 -38.98 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.976 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.5 mt -70.34 -29.57 66.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.592 177.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.6 HD11 ' HE2' ' A' ' 25' ' ' LYS . 19.0 mt -65.22 -6.58 9.84 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.585 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -101.86 26.23 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.575 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 8.8 m -108.43 146.94 32.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.644 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -57.09 118.78 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.708 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.9 7.47 66.11 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.601 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.584 HG11 ' O ' ' A' ' 28' ' ' LEU . 32.6 m -71.42 136.88 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 117.161 0.48 . . . . 0.0 110.645 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 28.0 mmmt -111.8 -31.51 6.93 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HG3' HD12 ' A' ' 38' ' ' LEU . 6.5 tp10 -170.29 146.3 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.913 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.1 t -123.77 115.14 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.005 0.431 . . . . 0.0 110.272 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.6 mp -96.83 135.64 38.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.176 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.504 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.6 mp -96.24 121.61 46.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 170.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.57 85.54 2.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.27 -25.14 65.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.6 -174.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.09 -9.04 59.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.96 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -119.39 -8.33 10.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.169 0.509 . . . . 0.0 110.93 -172.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.5 t60 53.3 36.58 23.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.877 0.846 . . . . 0.0 109.045 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 m -138.12 165.95 25.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.163 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.16 139.14 54.11 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.61 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 54.9 m-85 -107.71 103.0 12.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.562 0.696 . . . . 0.0 110.031 173.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 49.0 t -96.4 111.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.832 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -86.27 115.19 23.66 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.722 HG21 HG11 ' A' ' 60' ' ' VAL . 43.0 pt -104.88 166.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.356 0.598 . . . . 0.0 111.428 -178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' HB3' HG12 ' A' ' 54' ' ' VAL . 27.4 t70 -89.78 109.27 20.28 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.874 172.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 p -63.72 -7.74 8.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.631 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -88.46 -47.5 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.618 0.247 . . . . 0.0 111.289 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.456 HG12 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -84.99 -29.62 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -175.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -135.79 179.13 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.397 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.473 ' O ' HG12 ' A' ' 60' ' ' VAL . 48.5 t-20 -135.12 140.13 45.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 47.1 ttp180 -46.07 -54.43 8.53 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.19 -38.62 82.19 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.1 -171.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 62' ' ' GLN . 47.5 mt-10 -68.59 -48.22 64.73 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.255 0.55 . . . . 0.0 110.686 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.722 HG11 HG21 ' A' ' 50' ' ' ILE . 12.1 p -69.29 -35.65 68.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.236 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.6 tm-20 -55.98 -43.62 77.77 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.492 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 59.2 tt0 -54.44 -45.5 73.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.486 176.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.31 -42.17 88.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.52 -46.52 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.464 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.4 ppt_? -62.2 -37.47 85.43 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -64.21 -32.82 74.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.626 0.25 . . . . 0.0 111.585 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.7 -21.97 63.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.192 0.52 . . . . 0.0 110.327 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD13 ' HD3' ' A' ' 15' ' ' PRO . 72.1 mt -89.98 -29.42 18.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.335 174.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 55.0 mm-40 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.294 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.634 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 12.6 m . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.071 0.462 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 9.0 t -126.73 125.93 42.62 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -90.38 108.28 19.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.207 0.527 . . . . 0.0 110.842 -176.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.2 mt -90.25 118.12 29.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.263 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -78.67 97.96 6.03 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 10' ' ' LEU . 2.8 mm -91.46 129.14 42.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.89 119.3 21.87 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.428 HG13 ' HA ' ' A' ' 45' ' ' SER . 66.7 mt -70.16 139.01 87.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.639 -176.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.7 Cg_exo -58.14 157.82 24.1 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.692 2.262 . . . . 0.0 111.404 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.71 75.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.63 -39.39 31.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.077 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.63 134.8 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.244 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.95 148.46 26.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.199 0.524 . . . . 0.0 111.525 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.88 93.61 8.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.589 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -167.37 -166.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -62.07 -32.09 72.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.597 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.77 82.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.265 0.555 . . . . 0.0 110.505 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 tt -65.33 -43.01 92.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.558 176.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 67.7 tttt -62.94 -52.15 64.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.491 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.65 -32.77 59.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -72.06 -39.16 69.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.245 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.541 ' O ' HG11 ' A' ' 34' ' ' VAL . 33.0 mt -76.19 -29.37 57.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.425 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.01 -4.93 3.84 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.31 17.7 22.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.705 0.288 . . . . 0.0 110.891 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.586 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 14.8 m -97.55 143.93 27.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.72 113.05 4.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.717 0.294 . . . . 0.0 111.378 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 103.98 11.01 33.31 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.731 176.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.586 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 33.0 m -80.88 143.34 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 110.715 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -117.08 -35.12 4.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.213 0.53 . . . . 0.0 110.052 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -167.05 141.33 3.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.173 -175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.569 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 62.8 t -120.69 113.62 40.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -105.79 106.96 17.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.596 -174.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.402 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -75.99 130.23 36.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.101 0.477 . . . . 0.0 110.207 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.84 89.8 3.17 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.07 -41.93 93.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.451 -172.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -74.94 -28.52 60.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.358 . . . . 0.0 111.328 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -83.08 -13.13 56.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.157 0.503 . . . . 0.0 110.443 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.8 t60 58.03 39.94 25.89 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.304 -174.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.428 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.4 m -142.27 165.76 26.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.506 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.82 129.54 26.24 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 175.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.566 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 63.7 m-85 -89.99 107.16 18.95 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.98 0.419 . . . . 0.0 110.586 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.4 t -88.67 108.37 18.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HG2' ' HB ' ' A' ' 7' ' ' VAL . 4.7 ttmm -82.43 114.77 21.1 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.884 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.691 HG21 HG11 ' A' ' 60' ' ' VAL . 49.6 pt -104.82 170.7 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 CA-C-O 121.506 0.669 . . . . 0.0 111.922 -173.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.56 ' HB3' HG12 ' A' ' 54' ' ' VAL . 15.4 t70 -104.82 102.58 12.13 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.943 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -67.8 -2.38 7.07 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -89.04 -39.31 13.75 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.067 -0.396 . . . . 0.0 110.977 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.56 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.9 p -92.3 -27.09 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.31 -178.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.443 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 12.7 t -145.19 165.53 28.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.43 . . . . 0.0 111.159 -176.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.511 ' O ' HG12 ' A' ' 60' ' ' VAL . 95.1 m-20 -118.01 154.04 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.516 177.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.547 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 16.7 ttm-85 -45.96 -53.52 9.84 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.62 -43.4 80.47 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.102 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.53 -51.97 65.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.289 0.566 . . . . 0.0 110.832 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.691 HG11 HG21 ' A' ' 50' ' ' ILE . 13.2 p -68.98 -37.63 77.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.525 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 6.5 tm-20 -54.17 -46.98 72.46 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.461 ' HG3' ' NH2' ' A' ' 65' ' ' ARG . 53.5 tt0 -54.99 -44.25 74.3 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.613 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.06 79.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.69 -49.44 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.309 178.503 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' NH2' ' HG3' ' A' ' 62' ' ' GLN . 4.9 ppt_? -62.09 -36.62 82.26 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.17 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.09 -29.79 70.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.82 0.343 . . . . 0.0 111.707 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.49 61.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.961 0.41 . . . . 0.0 110.403 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.461 HD13 ' HD3' ' A' ' 15' ' ' PRO . 62.4 mt -95.47 -27.89 15.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 176.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.438 179.234 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.669 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 10.8 m . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 121.469 0.652 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.6 m -97.41 142.35 29.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.629 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -95.19 106.75 18.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.65 0.262 . . . . 0.0 110.699 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 9.3 mt -97.6 126.51 42.94 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' NH2' ' HB3' ' A' ' 43' ' ' GLU . 37.4 ttt180 -91.51 107.17 19.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.031 0.443 . . . . 0.0 110.222 175.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -93.57 128.09 45.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.892 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.83 108.64 10.0 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.507 HG23 ' HD2' ' A' ' 15' ' ' PRO . 69.4 mt -64.38 140.12 97.88 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.465 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 14' ' ' ILE . 16.9 Cg_exo -58.23 146.95 86.72 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.707 2.271 . . . . 0.0 110.544 175.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 -23.49 66.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.555 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.07 -37.86 17.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.021 0.438 . . . . 0.0 110.535 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.95 137.53 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.581 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.84 142.71 27.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.422 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -73.98 91.98 2.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.673 173.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -148.23 178.64 8.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.192 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.65 -28.97 70.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.203 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -58.8 -38.77 79.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.158 0.504 . . . . 0.0 110.532 176.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 tt -61.81 -43.56 98.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.449 0.643 . . . . 0.0 109.585 174.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.62 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 78.5 tttt -61.55 -52.89 62.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.56 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.3 m -63.86 -35.38 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -70.28 -38.06 74.99 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.273 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 33.7 mt -74.68 -29.72 61.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.036 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD11 ' HE2' ' A' ' 25' ' ' LYS . 20.0 mt -63.2 -8.51 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.69 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 24.1 mt-10 -104.08 19.99 19.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.704 0.287 . . . . 0.0 110.931 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.591 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 23.7 m -95.58 143.62 26.72 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -68.89 116.26 9.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.855 0.36 . . . . 0.0 110.893 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.483 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 107.43 9.46 29.15 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.328 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.591 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 29.8 m -86.06 159.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.296 0.57 . . . . 0.0 111.215 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -134.64 -35.86 0.87 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.982 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -168.89 140.51 2.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.703 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.62 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 95.3 t -122.51 129.73 75.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.065 0.46 . . . . 0.0 110.557 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.499 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.2 mp -109.03 141.04 41.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.931 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -102.69 132.73 48.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.117 0.484 . . . . 0.0 110.201 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.41 84.08 2.16 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.28 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.0 -43.4 81.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.143 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.75 -27.01 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.037 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.491 ' HB3' ' NH2' ' A' ' 11' ' ' ARG . 70.9 mm-40 -94.69 -12.21 27.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.295 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.432 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 17.3 t60 52.79 41.69 31.7 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.006 -169.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.439 ' HA ' HG13 ' A' ' 14' ' ' ILE . 21.2 m -138.55 167.72 21.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.373 -177.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -120.81 147.52 45.24 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 79.7 m-85 -113.57 104.1 11.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.386 0.612 . . . . 0.0 109.847 171.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.3 t -95.24 119.87 43.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.142 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -80.66 109.59 15.33 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.203 174.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.669 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.5 pt -105.2 160.48 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 CA-C-O 121.877 0.846 . . . . 0.0 112.478 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.469 ' HB3' HG12 ' A' ' 54' ' ' VAL . 9.9 t70 -92.22 92.71 8.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.23 173.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.2 p -66.87 -4.54 9.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.818 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -87.42 -26.64 23.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.731 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.469 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.6 p -104.15 -28.73 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.136 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.483 HG21 ' HA3' ' A' ' 33' ' ' GLY . 10.0 t -143.55 172.05 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.84 0.352 . . . . 0.0 111.038 -174.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.57 ' O ' HG12 ' A' ' 60' ' ' VAL . 22.4 m-80 -119.48 160.23 22.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 19.1 ttm180 -46.13 -54.13 9.16 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -70.46 -38.64 74.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.841 0.353 . . . . 0.0 111.342 -166.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.24 -47.25 62.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.221 0.534 . . . . 0.0 110.775 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 56' ' ' ASN . 14.5 p -71.66 -35.37 55.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.058 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.4 tm-20 -56.81 -43.67 81.22 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 48.9 tt0 -55.15 -46.46 75.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.139 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.86 96.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.976 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -61.32 -48.02 90.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.659 178.732 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -64.07 -34.31 77.75 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.302 -178.82 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 97.6 mt-30 -67.42 -28.13 67.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.815 0.341 . . . . 0.0 111.601 176.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.85 -21.08 61.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.392 0.615 . . . . 0.0 109.996 174.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.479 HD13 ' HD3' ' A' ' 15' ' ' PRO . 45.5 mt -92.78 -37.16 12.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.381 175.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.417 178.836 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 24.0 m . . . . . 0 N--CA 1.45 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 111.699 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.478 ' HB2' HG12 ' A' ' 50' ' ' ILE . 23.5 m -114.09 120.22 39.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 166.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -87.46 110.1 20.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.905 0.383 . . . . 0.0 110.447 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.2 mt -91.41 129.78 37.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.326 -177.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 11.0 ttp180 -89.77 102.86 15.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -91.9 128.9 43.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.974 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.91 112.34 17.11 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.462 HG23 ' HD2' ' A' ' 15' ' ' PRO . 84.9 mt -74.06 137.94 75.9 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.903 -176.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 14' ' ' ILE . 15.1 Cg_exo -60.5 136.75 69.51 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.708 2.272 . . . . 0.0 110.469 175.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.89 68.49 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.66 -29.37 45.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.146 0.498 . . . . 0.0 110.193 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.439 HD13 ' HB2' ' A' ' 15' ' ' PRO . 1.4 mp -81.54 139.96 17.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.851 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.52 143.43 26.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.115 0.483 . . . . 0.0 111.173 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -86.44 89.54 7.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.947 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -145.68 -173.02 4.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.14 -28.32 67.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.407 0.146 . . . . 0.0 111.025 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.92 80.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.338 0.589 . . . . 0.0 110.136 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 8.8 tt -64.4 -44.12 92.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.46 174.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.64 ' HE2' HD11 ' A' ' 29' ' ' LEU . 76.0 tttt -59.19 -53.72 55.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.485 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.94 -33.09 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 8.3 ptp180 -70.59 -37.45 73.92 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.064 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' O ' HG11 ' A' ' 34' ' ' VAL . 85.6 mt -76.91 -29.03 55.54 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.508 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.64 HD11 ' HE2' ' A' ' 25' ' ' LYS . 23.5 mt -61.84 -4.32 1.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.558 174.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -104.07 16.66 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.033 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.607 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 18.8 m -94.53 144.32 25.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.92 0.39 . . . . 0.0 110.343 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -61.27 101.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.091 -174.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.16 13.46 19.43 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.166 -0.54 . . . . 0.0 113.252 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.607 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.1 m -79.8 147.95 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 117.105 0.453 . . . . 0.0 111.551 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -121.11 -35.54 3.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.378 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -163.63 146.33 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.951 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.454 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 71.9 t -129.76 119.55 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tt -113.87 131.3 56.32 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.3 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.486 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.7 mp -90.17 125.28 43.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.961 0.41 . . . . 0.0 110.829 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.42 88.86 2.83 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -38.5 88.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.622 -170.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.06 -21.59 66.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.024 0.44 . . . . 0.0 111.058 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -101.85 -11.15 19.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.658 0.742 . . . . 0.0 109.973 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.0 t60 50.63 40.55 24.15 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.484 -170.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.7 m -136.32 164.91 27.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.136 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -118.23 152.43 35.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.605 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 71.7 m-85 -115.31 103.92 11.3 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 171.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -101.22 113.71 38.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.265 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HD3' HG21 ' A' ' 7' ' ' VAL . 91.7 mttt -83.94 122.07 28.23 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.837 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 7.7 pt -105.29 152.7 7.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.482 -176.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.523 ' HB3' HG12 ' A' ' 54' ' ' VAL . 25.4 t70 -83.21 102.09 11.67 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 168.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -65.21 -6.27 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.061 -173.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -86.87 -46.1 10.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.666 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 51' ' ' ASP . 9.8 p -84.16 -29.12 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.463 -177.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 t -141.13 175.05 9.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.978 0.418 . . . . 0.0 111.099 -175.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.442 ' O ' HG12 ' A' ' 60' ' ' VAL . 96.1 m-20 -126.58 154.94 43.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.741 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 32.7 ttp180 -46.73 -53.8 11.03 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -70.24 -39.45 75.02 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.379 -0.529 . . . . 0.0 111.073 -169.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.3 -50.68 59.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.061 0.458 . . . . 0.0 111.222 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.49 ' O ' HD12 ' A' ' 64' ' ' ILE . 11.4 p -67.76 -37.51 78.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.083 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.685 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 1.5 tm-20 -55.3 -44.21 75.54 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.806 174.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.607 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 3.3 tp-100 -57.02 -46.24 82.49 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.074 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.25 96.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.635 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.5 OUTLIER -59.15 -49.08 84.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.536 178.839 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 7.6 ppt_? -60.67 -39.68 89.3 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.921 -178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.436 ' N ' ' HD2' ' A' ' 65' ' ' ARG . 97.1 mt-30 -63.87 -28.7 70.02 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.989 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.37 -22.13 61.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.187 0.518 . . . . 0.0 110.416 175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.5 mt -91.9 -32.73 15.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.457 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.57 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 27.1 m . . . . . 0 N--CA 1.446 -0.625 0 CA-C-O 121.229 0.538 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -134.51 119.05 18.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 p -82.94 111.17 18.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.084 0.469 . . . . 0.0 111.126 -175.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.572 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.5 mt -86.0 131.26 34.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.801 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 32.6 ttp180 -89.0 103.96 16.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 10' ' ' LEU . 3.9 mm -90.58 120.58 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.056 -177.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.99 108.57 10.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.277 0.56 . . . . 0.0 109.725 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' A' ' 15' ' ' PRO . 82.0 mt -72.67 140.94 81.88 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.619 -171.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 14' ' ' ILE . 24.3 Cg_exo -58.86 156.05 35.12 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.988 2.459 . . . . 0.0 111.789 174.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.01 -29.4 64.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.59 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -85.11 -39.35 18.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.02 135.7 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.564 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 133.25 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.998 0.427 . . . . 0.0 111.439 -177.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -71.57 83.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 171.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -145.1 178.5 8.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 -168.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.56 -28.06 69.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.88 0.371 . . . . 0.0 110.031 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.11 -41.51 83.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.355 0.598 . . . . 0.0 110.25 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.9 tt -63.01 -42.12 99.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.653 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.6 tttt -60.25 -53.1 61.75 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.371 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.8 m -65.1 -34.53 71.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -173.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -71.44 -36.33 71.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.749 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.0 mt -74.41 -29.82 61.67 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.585 0.231 . . . . 0.0 110.816 177.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.518 HD11 ' HE2' ' A' ' 25' ' ' LYS . 22.1 mt -65.63 -5.1 7.36 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.593 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 44.7 mt-10 -99.2 13.8 31.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 111.038 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.607 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 13.5 m -95.55 143.93 26.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -176.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -71.51 119.2 15.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.084 -0.385 . . . . 0.0 110.878 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.493 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 104.68 9.52 35.07 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.388 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.607 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.0 m -83.72 141.62 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.147 0.499 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 32.5 mmmt -117.46 -31.33 5.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.395 174.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -170.21 146.71 3.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.356 -175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.494 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 83.7 t -129.59 114.01 29.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.032 0.444 . . . . 0.0 110.045 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 6.8 tt -105.31 132.19 51.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.943 -178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -95.98 128.57 47.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.992 0.425 . . . . 0.0 110.257 176.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.18 87.19 2.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.588 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.504 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 39.8 mt-10 -61.24 -33.21 73.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.097 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.84 -29.61 70.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.556 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -95.81 -7.39 37.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.361 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.2 t60 53.26 34.7 18.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 122.019 0.914 . . . . 0.0 109.24 -171.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.425 ' HA ' HG13 ' A' ' 14' ' ' ILE . 15.7 m -143.28 159.57 42.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.922 -175.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -107.13 157.97 17.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.009 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.572 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 96.6 m-85 -121.89 103.36 8.79 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 171.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 37' ' ' VAL . 48.1 t -100.91 111.62 31.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.08 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 85.0 mttt -78.68 121.24 24.45 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.636 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 46.7 pt -103.82 156.42 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 CA-C-O 121.703 0.763 . . . . 0.0 111.096 -177.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.599 ' HB3' HG12 ' A' ' 54' ' ' VAL . 16.0 t70 -89.47 98.77 11.95 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.905 -1.498 . . . . 0.0 108.622 175.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 m -66.06 -6.72 13.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.925 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -88.08 -16.16 34.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.599 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.3 p -119.14 -33.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.493 HG21 ' HA3' ' A' ' 33' ' ' GLY . 12.2 t -134.65 -176.93 4.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.316 0.579 . . . . 0.0 112.11 -172.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.523 ' O ' HG12 ' A' ' 60' ' ' VAL . 29.9 t30 -138.97 142.48 38.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.136 -174.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 25.5 ttp180 -47.07 -54.83 9.47 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -172.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -64.57 -43.1 94.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.947 0.403 . . . . 0.0 110.968 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.16 -50.28 64.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.245 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.539 HG11 HG21 ' A' ' 50' ' ' ILE . 14.4 p -70.02 -33.58 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.382 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.638 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 7.3 tm-20 -55.87 -43.48 77.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.141 0.576 . . . . 0.0 109.81 174.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -58.56 -43.62 89.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.624 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.56 90.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.493 HG23 HD22 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -61.08 -41.31 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.28 174.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.62 -42.11 74.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.699 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -59.76 -35.09 73.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.031 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.18 -29.58 69.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.221 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.47 -26.75 30.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.81 0.338 . . . . 0.0 110.709 175.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.02 178.326 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.507 ' HB ' ' HG2' ' A' ' 49' ' ' LYS . 6.4 m . . . . . 0 N--CA 1.449 -0.52 0 CA-C-O 121.288 0.566 . . . . 0.0 111.766 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -124.7 120.74 32.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.466 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 m -89.76 111.17 22.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.069 0.462 . . . . 0.0 110.542 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.8 mt -88.05 131.57 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.289 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 53.1 ttp180 -93.78 107.36 19.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.032 0.444 . . . . 0.0 109.908 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -96.14 132.24 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.446 -176.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -79.82 108.84 13.7 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' A' ' 15' ' ' PRO . 83.7 mt -78.43 139.93 59.92 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.309 -175.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 14' ' ' ILE . 11.7 Cg_exo -57.72 134.65 64.29 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.373 2.048 . . . . 0.0 110.278 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.4 -25.58 66.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.665 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -80.91 -31.7 35.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.767 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.98 133.73 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.064 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.38 142.37 31.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.056 0.455 . . . . 0.0 111.186 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.34 90.22 7.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.872 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -141.74 -173.72 3.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -174.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.42 -30.0 71.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.565 0.222 . . . . 0.0 111.006 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.81 96.72 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.145 0.498 . . . . 0.0 110.315 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.4 tt -60.65 -44.72 96.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.772 174.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.604 ' HE2' HD11 ' A' ' 29' ' ' LEU . 82.3 tttt -58.07 -53.23 60.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.539 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.48 -36.56 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -173.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 27' ' ' ARG . 6.5 ptp180 -68.56 -35.34 77.27 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.449 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.586 ' O ' HG11 ' A' ' 34' ' ' VAL . 32.1 mt -76.12 -30.66 58.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.692 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD11 ' HE2' ' A' ' 25' ' ' LYS . 16.1 mt -63.77 -12.22 33.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.448 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -93.7 10.97 30.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.83 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.579 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 21.1 m -89.83 141.56 28.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.038 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.4 110.71 3.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.958 0.409 . . . . 0.0 111.168 -175.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 109.77 6.6 28.39 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.636 178.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.586 HG11 ' O ' ' A' ' 28' ' ' LEU . 33.2 m -78.38 144.64 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.998 0.427 . . . . 0.0 110.851 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -114.77 -34.37 5.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.237 173.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -169.53 140.89 2.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.925 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 25' ' ' LYS . 90.1 t -118.92 121.34 66.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.179 0.514 . . . . 0.0 110.598 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 6.7 mp -105.51 140.41 38.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.955 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.6 mp -103.98 131.29 53.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.074 174.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.26 85.5 2.24 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 170.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -62.07 -42.44 99.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.71 -169.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -66.19 -28.61 68.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.695 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.66 -15.46 30.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.039 0.447 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.441 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 4.1 t60 60.9 39.17 17.12 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.357 -174.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.4 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.4 t -139.02 160.52 39.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.965 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -120.0 149.77 41.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.075 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.575 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 90.3 m-85 -116.56 103.7 10.67 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 172.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.474 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 61.5 t -97.86 109.26 23.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.424 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HG2' ' HB ' ' A' ' 7' ' ' VAL . 15.7 ttmm -80.08 116.5 20.23 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.452 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.622 HG21 HG11 ' A' ' 60' ' ' VAL . 5.5 pt -106.05 169.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.697 0.76 . . . . 0.0 112.386 -176.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.539 ' HB3' HG12 ' A' ' 54' ' ' VAL . 11.5 t70 -99.21 96.76 7.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.355 172.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.609 ' HA ' ' O ' ' A' ' 55' ' ' THR . 60.7 p -66.44 -6.31 14.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -172.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -80.95 -43.13 20.19 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.8 p -86.33 -31.35 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.609 ' O ' ' HA ' ' A' ' 52' ' ' SER . 12.7 t -147.51 154.95 41.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.504 0.192 . . . . 0.0 110.632 -174.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.585 ' O ' HG12 ' A' ' 60' ' ' VAL . 29.5 m-80 -105.3 161.23 14.47 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG3' HD13 ' A' ' 10' ' ' LEU . 48.5 ttp180 -46.68 -52.51 13.64 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -52.06 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.464 -167.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 11.5 pt-20 -58.29 -46.92 85.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.187 0.517 . . . . 0.0 111.195 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.622 HG11 HG21 ' A' ' 50' ' ' ILE . 12.4 p -74.04 -35.35 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.496 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -45.36 78.23 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.26 0.624 . . . . 0.0 109.846 173.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 61.3 tt0 -55.02 -48.83 72.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.321 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.88 90.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.249 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -62.03 -49.47 83.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.462 178.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -66.15 -35.24 79.96 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.263 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 99.0 mt-30 -64.79 -27.86 69.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.911 0.386 . . . . 0.0 111.443 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.24 -21.36 62.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.3 mt -93.16 -32.31 14.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.436 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.417 -178.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.704 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 34.7 m . . . . . 0 N--CA 1.445 -0.691 0 CA-C-O 121.394 0.616 . . . . 0.0 112.226 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 21.4 t -133.95 125.72 28.83 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -87.62 108.45 19.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.217 0.532 . . . . 0.0 110.977 -175.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.4 mt -95.17 129.41 42.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.063 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 11' ' ' ARG . 41.8 ttm180 -95.22 109.26 21.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.749 0.309 . . . . 0.0 110.192 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -103.74 138.27 28.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.578 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -77.87 118.08 19.85 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' A' ' 45' ' ' SER . 97.3 mt -80.91 136.56 50.75 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.776 0.322 . . . . 0.0 111.274 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.436 ' HD3' HD13 ' A' ' 68' ' ' LEU . 12.4 Cg_exo -63.26 151.01 86.98 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.892 2.395 . . . . 0.0 111.384 176.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.62 -24.53 56.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.061 0.457 . . . . 0.0 110.819 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.04 -29.37 31.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.781 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -86.4 131.98 33.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.86 131.08 38.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.159 0.505 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.64 91.38 6.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.45 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -164.61 -166.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.69 -29.51 53.22 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.615 0.245 . . . . 0.0 111.488 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.09 93.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.13 0.49 . . . . 0.0 110.887 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.3 tt -66.44 -38.74 88.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.482 0.658 . . . . 0.0 109.538 175.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 79.7 tttt -60.0 -53.12 61.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.983 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.13 -35.83 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -174.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 10.8 ptp180 -67.15 -39.82 86.6 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.426 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.517 ' HB2' HG21 ' A' ' 37' ' ' VAL . 36.2 mt -76.07 -29.75 58.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.253 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.515 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.6 mt -59.21 -21.61 59.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.605 0.24 . . . . 0.0 111.462 176.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.06 14.68 5.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.393 . . . . 0.0 111.502 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.9 m -98.65 136.91 38.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.15 117.24 6.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.785 -173.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.63 3.21 43.44 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.529 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.52 130.23 36.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 117.172 0.486 . . . . 0.0 111.122 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -96.25 -41.23 8.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.055 175.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -165.63 140.73 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.328 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.534 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 58.9 t -114.89 122.25 68.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.483 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 8.6 mp -103.38 140.36 37.55 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.789 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.93 127.31 64.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 173.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.69 91.65 3.64 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.668 173.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -17.94 63.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.824 0.345 . . . . 0.0 110.692 -177.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.84 -40.03 91.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.467 0.651 . . . . 0.0 109.79 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -103.82 -3.56 24.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.546 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.9 t60 51.2 42.28 28.66 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.62 -172.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.436 ' HA ' HG13 ' A' ' 14' ' ' ILE . 19.8 m -139.4 158.56 43.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.849 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.65 140.45 40.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.496 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 67.4 m-85 -106.88 102.79 12.13 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 169.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.48 HG13 HG22 ' A' ' 37' ' ' VAL . 28.6 t -96.54 112.11 28.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.951 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 8' ' ' SER . 63.0 mttm -84.09 116.91 23.11 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.736 HG21 HG11 ' A' ' 60' ' ' VAL . 33.7 pt -104.51 166.26 3.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.365 0.602 . . . . 0.0 111.15 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.515 ' HB3' HG12 ' A' ' 54' ' ' VAL . 14.1 t70 -92.39 102.98 15.46 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.635 174.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 m -69.24 -1.89 9.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.926 -172.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 5.3 mmpt? -89.08 -34.6 16.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.653 0.264 . . . . 0.0 110.887 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.515 HG12 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -96.08 -32.91 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.652 -177.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 t -141.84 169.58 17.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.669 0.271 . . . . 0.0 110.849 -173.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.532 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -121.04 154.79 35.61 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.726 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 23.5 ttp180 -46.97 -54.41 10.18 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -175.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.94 -42.07 97.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.709 0.231 . . . . 0.0 111.403 -168.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 11.5 pt-20 -69.54 -45.67 68.26 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.386 0.613 . . . . 0.0 110.938 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.736 HG11 HG21 ' A' ' 50' ' ' ILE . 13.9 p -73.42 -33.91 41.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.023 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 1.9 tm-20 -56.26 -44.41 79.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.865 174.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 36.2 tt0 -55.9 -47.85 76.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.338 174.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.51 80.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.374 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -65.08 -47.68 86.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.469 178.343 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -63.5 -34.78 78.53 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.224 -179.031 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.429 ' HG3' ' HD3' ' A' ' 65' ' ' ARG . 54.1 mt-30 -65.43 -34.17 77.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.598 176.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.63 64.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.0 0.428 . . . . 0.0 110.191 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.436 HD13 ' HD3' ' A' ' 15' ' ' PRO . 62.8 mt -91.0 -24.68 20.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.258 175.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.447 177.484 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.593 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 26.7 m . . . . . 0 N--CA 1.448 -0.56 0 CA-C-O 121.478 0.656 . . . . 0.0 112.105 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' HG12 ' A' ' 50' ' ' ILE . 5.0 m -109.72 122.65 47.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 p -88.01 98.3 11.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.856 0.36 . . . . 0.0 111.123 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 11.2 mt -79.03 125.95 30.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.973 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -82.75 98.88 9.32 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 174.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 10' ' ' LEU . 8.8 mm -89.95 133.57 31.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.182 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.59 119.24 20.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.152 0.501 . . . . 0.0 110.361 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 15' ' ' PRO . 57.2 mt -73.03 139.64 79.83 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.581 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD3' HD13 ' A' ' 68' ' ' LEU . 23.5 Cg_exo -58.24 158.05 23.68 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.901 2.4 . . . . 0.0 111.557 174.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.26 90.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.63 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -87.17 -20.22 27.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.195 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mp -82.35 138.52 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.696 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.52 145.89 24.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.037 0.446 . . . . 0.0 111.149 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.71 90.99 4.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.753 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -161.27 -176.7 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.049 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 43.8 tt0 -58.32 -28.13 64.77 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -175.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.77 81.14 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.118 0.485 . . . . 0.0 110.684 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.6 tt -64.52 -40.79 96.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.437 175.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HE2' HD11 ' A' ' 29' ' ' LEU . 77.9 tttt -59.66 -53.13 61.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.191 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.17 -33.12 61.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HD2' HD23 ' A' ' 68' ' ' LEU . 13.0 ptp180 -74.54 -35.0 63.1 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.841 178.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.9 mt -75.5 -28.74 59.29 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.277 -0.264 . . . . 0.0 110.906 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 HD11 ' HE2' ' A' ' 25' ' ' LYS . 23.0 mt -62.33 -10.49 11.3 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.72 0.295 . . . . 0.0 111.568 175.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 27' ' ' ARG . 35.5 mt-10 -90.93 19.76 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.161 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.719 ' O ' HG22 ' A' ' 34' ' ' VAL . 19.7 m -106.74 143.95 34.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.67 0.272 . . . . 0.0 110.935 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.95 112.39 4.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.637 0.256 . . . . 0.0 110.459 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.48 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 110.28 -2.67 29.67 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.315 176.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 31' ' ' THR . 22.5 m -79.49 132.33 32.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 117.416 0.608 . . . . 0.0 111.21 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 66.1 mmtt -103.84 -34.94 8.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.319 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -168.32 140.69 2.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.391 -174.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.537 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 60.3 t -119.77 121.42 66.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.134 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 tt -110.78 114.41 27.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.276 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.22 131.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.188 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.66 84.32 2.04 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.52 -41.93 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.715 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.99 -39.64 78.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 111.396 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.48 -1.74 57.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.403 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 22.1 t60 52.58 39.4 28.05 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 122.02 0.914 . . . . 0.0 108.813 -171.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.6 m -134.12 175.04 9.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.844 -176.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -145.91 127.86 15.48 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 33.6 m-85 -87.61 104.78 16.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.405 0.621 . . . . 0.0 110.614 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.443 HG22 HG13 ' A' ' 37' ' ' VAL . 60.7 t -94.49 114.79 31.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.071 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 92.5 mttt -81.09 122.0 26.8 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.869 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 1.3 pt -104.14 147.44 10.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.603 -175.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.491 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 21.7 t70 -85.41 99.51 11.24 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.596 171.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 m -67.29 0.8 2.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.967 -174.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 3.2 mmmp? -88.47 -43.93 11.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.702 0.287 . . . . 0.0 110.476 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 51' ' ' ASP . 9.7 p -93.32 -26.83 4.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.685 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.506 ' OG1' ' HB ' ' A' ' 60' ' ' VAL . 14.8 t -142.63 169.04 18.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.733 0.301 . . . . 0.0 110.986 -174.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.479 ' O ' HG12 ' A' ' 60' ' ' VAL . 29.6 m-80 -123.68 163.75 20.47 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.678 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 12.2 ttm180 -46.53 -52.37 13.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.747 0.654 . . . . 0.0 112.577 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -70.4 -48.2 57.26 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.47 -167.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.47 -43.3 90.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.08 0.467 . . . . 0.0 111.13 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.545 ' O ' HD12 ' A' ' 64' ' ' ILE . 7.3 p -69.89 -38.79 76.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.985 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.678 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 2.6 tm-20 -53.23 -44.72 68.29 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.271 0.629 . . . . 0.0 109.593 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 47.1 tt0 -55.81 -49.15 74.02 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.2 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.84 78.97 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.056 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.76 -49.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.332 177.775 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.495 ' HD3' ' HG3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -64.65 -31.97 73.43 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.64 -179.065 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.495 ' HG3' ' HD3' ' A' ' 65' ' ' ARG . 29.4 mt-30 -65.65 -33.17 75.28 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.659 0.266 . . . . 0.0 111.418 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.4 65.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.091 0.472 . . . . 0.0 110.663 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 ' HD2' ' A' ' 27' ' ' ARG . 38.1 mt -98.68 -23.47 15.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.801 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.011 -177.582 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.641 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 30.4 m . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.424 ' HB2' HG12 ' A' ' 50' ' ' ILE . 13.3 m -135.39 117.56 15.49 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 167.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -82.44 98.98 9.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.857 0.361 . . . . 0.0 110.984 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.606 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.0 mt -87.82 137.18 32.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.814 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -103.48 101.52 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.9 0.381 . . . . 0.0 110.088 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -91.43 138.16 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.951 -178.538 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.59 108.77 16.22 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.452 HG23 ' HD2' ' A' ' 15' ' ' PRO . 79.5 mt -66.65 140.05 96.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.78 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 14' ' ' ILE . 13.6 Cg_exo -62.12 150.44 86.65 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.609 2.206 . . . . 0.0 110.754 173.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.67 57.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.872 0.368 . . . . 0.0 111.283 -177.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.77 -30.59 20.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.419 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -80.49 134.17 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.934 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.65 138.73 41.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.251 0.548 . . . . 0.0 111.473 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.53 92.73 9.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.878 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -159.79 -174.56 4.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.811 -176.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 45.0 tt0 -59.28 -28.73 67.01 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.608 0.242 . . . . 0.0 111.261 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.45 85.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.073 0.463 . . . . 0.0 110.606 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.46 -39.73 94.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.299 0.571 . . . . 0.0 109.657 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.638 ' HE2' HD11 ' A' ' 29' ' ' LEU . 78.3 tttt -61.21 -53.43 56.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.0 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 m -64.88 -32.34 57.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.008 -174.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 8.7 ptp180 -71.21 -37.76 72.07 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.3 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 85.2 mt -77.12 -28.55 54.42 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.629 0.252 . . . . 0.0 111.139 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.638 HD11 ' HE2' ' A' ' 25' ' ' LYS . 25.7 mt -63.2 -4.71 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.506 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.68 19.38 12.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.625 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.614 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 15.1 m -98.23 143.65 28.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.69 115.71 11.2 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.077 0.465 . . . . 0.0 109.899 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 102.34 21.86 10.33 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.611 177.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.614 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 31.2 m -88.2 144.43 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.192 0.52 . . . . 0.0 111.433 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -114.89 -44.5 3.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.684 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.564 ' OE2' ' HE3' ' A' ' 25' ' ' LYS . 9.9 tp10 -161.21 146.92 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.037 -174.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.546 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 67.5 t -127.78 112.3 27.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 177.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 10.5 tt -106.45 121.64 44.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.61 121.61 37.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.014 0.435 . . . . 0.0 109.903 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.62 94.77 5.0 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.312 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -22.07 62.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.957 0.408 . . . . 0.0 110.908 -176.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.53 -18.67 65.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.128 0.49 . . . . 0.0 110.294 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -111.32 -12.03 14.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.136 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.417 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 42.7 t60 48.66 41.95 18.57 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.74 -165.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -135.81 160.76 37.56 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.163 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -112.58 122.49 47.84 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.322 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 41.7 m-85 -89.06 101.72 14.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.558 0.694 . . . . 0.0 109.133 171.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.497 HG13 HG22 ' A' ' 37' ' ' VAL . 27.4 t -100.46 109.8 25.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.509 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 84.3 mttt -84.94 118.3 24.46 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.702 HG21 HG11 ' A' ' 60' ' ' VAL . 45.5 pt -104.22 169.01 2.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.761 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 53' ' ' LYS . 15.4 t70 -97.95 103.8 15.77 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.244 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.9 t -66.05 -12.82 57.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.724 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.544 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 12.3 mmmm -76.57 -39.89 51.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.99 0.424 . . . . 0.0 110.582 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 51' ' ' ASP . 10.3 p -99.81 -28.37 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.413 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 14.5 t -141.85 177.92 7.86 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.028 0.442 . . . . 0.0 111.74 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.504 ' O ' HG12 ' A' ' 60' ' ' VAL . 55.8 t30 -132.28 146.35 51.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.841 -176.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.602 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 41.0 ttp180 -46.4 -55.19 7.73 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -172.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -66.75 -41.74 87.31 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.793 -172.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.4 -52.62 62.87 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.562 0.696 . . . . 0.0 110.723 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.702 HG11 HG21 ' A' ' 50' ' ' ILE . 12.8 p -69.91 -35.21 63.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.75 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.602 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.2 tm-20 -53.86 -45.59 71.01 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.14 0.576 . . . . 0.0 109.888 174.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 62.3 tt0 -59.42 -43.04 93.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.234 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.02 96.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.134 0.492 . . . . 0.0 110.765 175.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -60.56 -49.36 84.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.695 178.423 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -61.4 -36.08 79.31 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.332 -178.54 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.516 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 28.5 mt-30 -62.08 -35.0 77.34 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -21.75 66.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.889 0.376 . . . . 0.0 110.955 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.4 mt -98.75 -24.44 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.966 -175.729 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.68 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 19.6 m . . . . . 0 N--CA 1.448 -0.575 0 CA-C-O 121.498 0.666 . . . . 0.0 111.957 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 t -130.2 127.34 39.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -87.26 114.7 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.533 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.3 mt -94.23 134.22 36.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.64 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 11' ' ' ARG . 43.0 ttm180 -97.22 100.22 11.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 mm -90.93 127.09 43.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.336 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.04 118.26 18.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.27 0.557 . . . . 0.0 109.724 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.456 HG23 ' HD2' ' A' ' 15' ' ' PRO . 75.8 mt -87.68 140.54 31.56 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.169 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.469 ' HD3' HD13 ' A' ' 68' ' ' LEU . 13.4 Cg_exo -60.06 141.52 96.46 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.439 2.093 . . . . 0.0 110.638 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.68 -27.02 67.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.988 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -77.68 -40.06 42.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.633 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.45 126.1 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.006 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.43 137.78 46.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.122 0.487 . . . . 0.0 111.257 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.577 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -85.26 99.18 10.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.72 175.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -155.86 -169.61 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.831 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.69 -30.61 70.85 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -40.76 86.57 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.337 0.589 . . . . 0.0 110.73 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.658 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.2 tt -62.04 -45.45 93.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.402 174.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.596 ' HE2' HD11 ' A' ' 29' ' ' LEU . 81.6 tttt -58.06 -53.55 57.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.686 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -66.38 -33.21 61.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 20.6 ptp180 -73.17 -34.86 66.27 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.301 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.2 mt -74.21 -29.85 61.92 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.623 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.596 HD11 ' HE2' ' A' ' 25' ' ' LYS . 19.5 mt -64.62 -8.62 14.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.733 177.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -98.15 11.05 39.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.587 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 7.0 m -93.25 145.3 24.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.196 -0.315 . . . . 0.0 110.177 -175.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.19 117.66 8.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.864 0.364 . . . . 0.0 111.458 -174.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.39 6.46 55.19 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.702 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.613 HG11 ' O ' ' A' ' 28' ' ' LEU . 23.1 m -78.86 138.34 20.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.071 0.463 . . . . 0.0 110.679 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -115.12 -28.77 6.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.209 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 49' ' ' LYS . 9.4 tt0 -169.93 143.38 2.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.196 -175.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 48' ' ' VAL . 86.4 t -127.81 125.18 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.795 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.17 140.56 42.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.501 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.02 127.77 53.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.36 86.82 2.63 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.41 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.577 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.13 -25.7 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.652 -174.027 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.89 -27.03 64.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.025 0.441 . . . . 0.0 110.147 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -98.82 -6.45 29.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.405 0.621 . . . . 0.0 109.672 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.2 t60 47.8 41.34 14.04 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.639 -170.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.408 ' HA ' HG13 ' A' ' 14' ' ' ILE . 42.1 m -141.23 164.09 31.2 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.203 -176.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.81 142.02 39.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.183 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 67.4 m-85 -106.91 103.54 13.0 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 171.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.471 HG13 HG22 ' A' ' 37' ' ' VAL . 26.1 t -98.61 122.61 50.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.893 -175.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 28.1 mmtp -83.33 109.46 17.3 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.641 176.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.68 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 32.4 pt -105.35 161.34 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 CA-C-O 121.503 0.668 . . . . 0.0 111.387 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.488 ' HB3' HG12 ' A' ' 54' ' ' VAL . 14.5 t70 -96.37 104.72 16.71 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.613 173.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 m -69.78 -2.33 11.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -172.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -89.13 -41.74 12.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.796 0.332 . . . . 0.0 110.447 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.3 p -91.09 -26.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.763 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 t -137.31 179.45 6.39 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.285 0.564 . . . . 0.0 111.455 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.492 ' O ' HG12 ' A' ' 60' ' ' VAL . 49.1 t30 -136.49 145.03 44.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.826 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.595 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 38.3 ttp180 -45.74 -54.31 8.1 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -173.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.94 -42.74 89.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.096 0.407 . . . . 0.0 111.033 -174.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.75 -52.83 63.44 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.521 0.677 . . . . 0.0 110.976 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.566 HG11 HG21 ' A' ' 50' ' ' ILE . 14.4 p -70.85 -35.62 60.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.341 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.595 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 7.5 tm-20 -56.37 -45.81 80.34 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 7.3 tp60 -54.59 -44.86 73.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.193 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.48 92.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.735 0.302 . . . . 0.0 110.948 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.25 -48.77 87.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.71 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.522 ' HD2' ' OE1' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.39 -31.68 72.91 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.342 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 48.2 mt-30 -65.69 -30.5 71.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.741 0.305 . . . . 0.0 111.47 175.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.93 -21.25 66.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.343 0.592 . . . . 0.0 110.184 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.469 HD13 ' HD3' ' A' ' 15' ' ' PRO . 50.4 mt -91.91 -33.52 14.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.38 175.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 66' ' ' GLN . 72.5 mm-40 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.699 -0.667 . . . . 0.0 111.421 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 20.9 m . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 121.054 0.454 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -123.42 120.15 32.13 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -79.96 105.62 11.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.003 0.43 . . . . 0.0 110.977 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.432 HD22 ' HG3' ' A' ' 57' ' ' ARG . 11.1 mt -92.66 129.36 38.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -91.81 107.22 19.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mm -90.58 124.07 43.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -76.73 108.32 9.66 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 15' ' ' PRO . 85.5 mt -78.99 140.2 57.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.412 -171.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HD2' HG23 ' A' ' 14' ' ' ILE . 14.2 Cg_exo -59.9 150.94 75.0 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.694 2.263 . . . . 0.0 110.988 175.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.35 -31.67 64.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.211 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -77.72 -37.16 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.644 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.402 HG21 HD12 ' A' ' 68' ' ' LEU . 1.6 mp -72.83 133.17 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.901 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.23 135.01 35.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.099 0.476 . . . . 0.0 111.112 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.581 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -85.69 91.9 8.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.933 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -152.54 -172.77 4.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.289 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 36.6 tt0 -57.58 -30.27 65.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -62.26 -36.66 82.73 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.168 0.509 . . . . 0.0 110.682 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.4 tt -65.6 -39.1 91.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.637 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.1 tttt -61.67 -52.98 62.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.845 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 23' ' ' ALA . 26.3 m -64.0 -32.9 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -72.66 -38.08 67.75 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.527 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 29.8 mt -73.94 -29.77 62.2 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.482 0.182 . . . . 0.0 111.073 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.637 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.4 mt -64.69 -4.9 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -98.03 5.66 48.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.644 0.259 . . . . 0.0 111.082 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.597 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 21.6 m -85.2 144.71 27.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.774 0.321 . . . . 0.0 110.376 -174.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.98 109.13 2.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.901 0.382 . . . . 0.0 111.454 -176.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.455 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 104.08 24.17 7.75 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.597 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 27.2 m -91.53 138.09 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.279 0.561 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -113.12 -36.85 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.994 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -168.23 142.49 3.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.58 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.536 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 94.2 t -129.68 121.72 53.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.08 0.467 . . . . 0.0 110.56 -178.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 11.0 mp -109.37 133.35 53.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.05 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -94.75 128.32 46.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 171.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.43 87.62 2.7 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.554 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 1.3 tm-20 -64.96 -26.92 68.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.874 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.82 -34.03 73.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.704 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -100.07 -7.2 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.857 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.9 t60 50.45 40.34 22.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.644 -169.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.414 ' HA ' HG13 ' A' ' 14' ' ' ILE . 18.4 m -137.73 159.4 42.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.674 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.97 133.54 53.07 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.49 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.442 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 62.0 m-85 -99.99 102.8 14.27 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.351 174.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -101.24 111.79 32.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.046 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -80.3 118.9 22.37 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.703 HG21 HG11 ' A' ' 60' ' ' VAL . 42.7 pt -104.15 168.14 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.756 0 CA-C-O 121.42 0.629 . . . . 0.0 111.599 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.534 ' OD2' ' HB2' ' A' ' 53' ' ' LYS . 33.2 t70 -96.03 104.32 16.26 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.211 -1.359 . . . . 0.0 109.5 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -71.79 3.43 4.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.189 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 11.6 mmmm -88.66 -47.31 8.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.912 0.387 . . . . 0.0 110.568 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -91.31 -35.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.455 HG21 ' HA3' ' A' ' 33' ' ' GLY . 15.2 t -136.18 170.35 16.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.009 0.433 . . . . 0.0 111.58 -170.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.525 ' O ' HG12 ' A' ' 60' ' ' VAL . 19.0 m-80 -118.24 159.19 23.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.486 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.594 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 55.8 ttp180 -47.19 -52.7 15.04 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -175.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -76.28 -39.19 54.9 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.003 -167.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.74 -49.96 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.308 0.575 . . . . 0.0 110.276 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.703 HG11 HG21 ' A' ' 50' ' ' ILE . 13.1 p -71.82 -36.59 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.642 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.594 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 5.1 tm-20 -58.3 -46.74 85.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.874 0.369 . . . . 0.0 110.007 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.93 -39.77 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.384 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.26 93.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.563 176.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.25 -42.56 93.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.009 173.56 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' NE ' ' HG3' ' A' ' 69' ' ' GLU . 1.9 tmt_? -56.73 -42.08 78.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.409 176.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.17 -33.86 74.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.155 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.09 -21.76 64.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.848 0.356 . . . . 0.0 111.21 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD12 HG21 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -91.91 -19.85 22.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.273 173.637 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG3' ' NE ' ' A' ' 65' ' ' ARG . 14.7 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.745 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.7 m . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 121.442 0.639 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -82.38 105.04 13.12 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -77.74 109.77 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.998 0.427 . . . . 0.0 110.771 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.664 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 5.6 mt -85.79 157.51 20.22 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -122.15 98.78 6.09 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.2 mm -89.8 133.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.484 -173.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -76.68 110.23 11.09 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.428 ' HB ' ' CD2' ' A' ' 44' ' ' HIS . 63.6 mt -69.44 136.93 88.54 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.316 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.2 Cg_exo -57.64 152.32 49.36 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.632 2.221 . . . . 0.0 111.017 175.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.11 77.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.303 0.573 . . . . 0.0 111.027 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -86.39 -36.94 18.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.006 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.22 132.19 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.79 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.43 142.9 38.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.232 0.539 . . . . 0.0 111.69 -176.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.29 86.9 7.14 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.036 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -155.0 -168.16 2.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.567 -174.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.78 -27.99 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.536 0.208 . . . . 0.0 111.005 -177.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.46 88.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.17 0.51 . . . . 0.0 110.562 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.532 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.2 tt -66.29 -42.4 88.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.63 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HE2' HD11 ' A' ' 29' ' ' LEU . 77.8 tttt -58.49 -53.36 59.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.342 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.3 -32.11 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 -173.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -69.4 -38.9 78.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.116 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 32.4 mt -76.13 -29.58 57.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.965 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.608 HD11 ' HE2' ' A' ' 25' ' ' LYS . 19.4 mt -61.3 -12.63 14.36 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.714 0.293 . . . . 0.0 111.547 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -96.86 12.81 30.86 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.719 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.1 m -95.84 143.09 27.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -63.94 111.76 2.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.889 0.376 . . . . 0.0 111.684 -174.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.478 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 106.36 1.05 37.93 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.205 175.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 31' ' ' THR . 28.4 m -78.33 129.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 117.304 0.552 . . . . 0.0 111.016 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 31.9 mmmt -105.56 -25.31 12.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -169.49 142.22 2.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.041 -172.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 25' ' ' LYS . 50.5 t -131.62 114.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 7.9 tt -113.46 117.09 30.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.49 -175.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.0 123.26 33.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.169 0.509 . . . . 0.0 110.473 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.48 95.79 5.79 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -31.13 65.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.08 -172.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.25 -43.13 99.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.55 -18.1 58.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.761 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.428 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 29.9 t60 53.08 41.79 32.17 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -167.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.408 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.9 m -136.68 163.49 30.46 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.478 -175.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.449 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -115.67 125.31 52.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.419 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.664 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 70.7 m-85 -89.28 103.06 15.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.495 0.664 . . . . 0.0 109.342 173.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.465 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 54.9 t -104.86 109.47 27.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.807 -177.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.475 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 90.9 mttt -83.99 118.86 24.31 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.615 HG21 HG11 ' A' ' 60' ' ' VAL . 2.2 pt -105.28 162.4 4.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-O 121.57 0.7 . . . . 0.0 110.858 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.57 ' HB3' HG12 ' A' ' 54' ' ' VAL . 19.7 t70 -93.13 97.55 10.74 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.619 174.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' THR . 37.1 p -68.24 0.79 3.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.879 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 31.4 mmmt -88.81 -36.1 16.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.252 176.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.57 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.5 p -95.49 -30.37 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.011 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.478 HG21 ' HA3' ' A' ' 33' ' ' GLY . 11.3 t -140.69 179.24 6.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 111.021 -175.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.571 ' O ' HG12 ' A' ' 60' ' ' VAL . 54.6 t30 -128.43 143.91 51.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -178.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.79 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 20.5 ttp180 -45.72 -54.44 7.87 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.511 0.507 . . . . 0.0 111.986 -176.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -47.11 87.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.6 0.238 . . . . 0.0 111.367 -173.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.28 -53.58 50.56 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.393 0.616 . . . . 0.0 111.006 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.615 HG11 HG21 ' A' ' 50' ' ' ILE . 14.8 p -69.36 -33.9 59.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.533 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.79 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.8 tm-20 -54.4 -48.28 71.77 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.414 0.686 . . . . 0.0 110.241 176.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.56 -37.54 87.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.476 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.73 88.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.585 175.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.567 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.8 OUTLIER -62.74 -43.56 98.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.209 173.8 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -57.88 -39.46 77.9 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -65.62 -34.2 77.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.342 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.62 -21.79 62.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.457 . . . . 0.0 110.539 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 15' ' ' PRO . 71.1 mt -88.9 -35.74 16.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.193 174.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.561 178.75 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.0 m . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 121.533 0.682 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.463 ' HB3' HG12 ' A' ' 50' ' ' ILE . 36.4 t -133.99 111.06 10.1 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 168.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -77.93 114.93 17.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.921 0.391 . . . . 0.0 110.753 -176.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.654 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.2 mt -82.44 162.71 22.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.761 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -122.69 97.62 5.54 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -90.79 126.4 43.54 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.464 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 8.0 pt-20 -75.64 113.9 13.61 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.516 HG23 ' HD2' ' A' ' 15' ' ' PRO . 91.5 mt -79.69 141.3 55.72 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.737 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 14' ' ' ILE . 17.8 Cg_exo -58.31 143.57 97.16 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.304 2.003 . . . . 0.0 110.855 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -19.63 64.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.11 0.481 . . . . 0.0 110.973 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -83.1 -40.91 19.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.68 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.17 134.93 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.549 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.12 132.9 35.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.12 0.486 . . . . 0.0 110.862 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -81.01 94.68 6.61 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.257 177.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -157.28 -171.1 3.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.706 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 42.0 tt0 -58.22 -30.47 66.52 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.11 89.95 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.232 0.539 . . . . 0.0 110.477 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.1 tt -62.74 -39.96 95.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.617 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.665 ' HE2' HD11 ' A' ' 29' ' ' LEU . 77.0 tttt -60.83 -53.3 58.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.364 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.87 -34.96 73.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -70.65 -38.64 73.85 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.702 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.6 mt -73.62 -30.02 62.72 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.577 0.227 . . . . 0.0 110.934 177.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.665 HD11 ' HE2' ' A' ' 25' ' ' LYS . 23.5 mt -60.47 -23.66 64.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.612 0.244 . . . . 0.0 111.105 175.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -85.56 13.86 6.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.768 0.318 . . . . 0.0 111.475 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.6 m -98.26 135.71 39.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.63 115.95 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.556 -173.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.459 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 106.4 -2.9 37.13 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.694 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -78.86 122.41 33.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.839 0.352 . . . . 0.0 111.363 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -94.22 -31.35 14.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.594 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -168.14 146.23 4.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.985 -174.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.553 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 96.0 t -130.0 113.67 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.062 0.458 . . . . 0.0 109.784 178.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 7.2 tt -106.83 119.07 38.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.046 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.412 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.7 mp -80.03 118.55 27.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.078 0.466 . . . . 0.0 110.06 177.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.35 87.93 3.76 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 172.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.64 -33.66 76.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.87 -172.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.23 -23.44 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.046 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -101.18 -13.41 18.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.412 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.1 t60 55.71 39.75 30.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.921 -171.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.403 ' HA ' HG13 ' A' ' 14' ' ' ILE . 28.3 t -142.76 159.92 41.32 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.648 -174.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.63 127.75 55.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.852 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 15.0 m-85 -91.85 103.17 15.75 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.2 t -105.13 111.44 34.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.565 -174.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -79.87 121.78 25.85 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.071 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 26.6 pt -104.69 149.97 7.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.639 -178.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.526 ' HB3' HG12 ' A' ' 54' ' ' VAL . 13.6 t70 -86.3 106.25 17.23 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.692 171.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -68.13 -4.83 15.01 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -173.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -89.18 -39.18 13.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.57 0.224 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 51' ' ' ASP . 12.3 p -92.63 -30.87 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.587 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.459 HG21 ' HA3' ' A' ' 33' ' ' GLY . 11.8 t -139.08 -174.93 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.162 0.506 . . . . 0.0 111.673 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 60' ' ' VAL . 48.8 t30 -141.67 151.18 42.79 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.759 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 4.7 ttp180 -47.48 -55.52 8.91 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -62.12 -41.49 98.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 -173.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -65.44 -53.54 41.48 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.452 0.644 . . . . 0.0 110.953 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.566 ' O ' HD12 ' A' ' 64' ' ' ILE . 14.1 p -69.68 -35.47 65.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.067 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.759 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -54.8 -45.01 74.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.53 0.732 . . . . 0.0 109.911 175.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.619 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 48.8 tt0 -56.77 -48.72 77.23 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.092 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.73 79.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.31 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -63.62 -48.44 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.594 178.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.1 ppt_? -64.29 -35.73 81.78 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 120.421 -0.511 . . . . 0.0 111.427 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -64.76 -33.47 76.06 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.565 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.01 -21.83 65.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.138 0.494 . . . . 0.0 110.562 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.7 mt -94.24 -29.11 15.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.476 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.704 -178.45 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 20.6 m . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 121.114 0.483 . . . . 0.0 111.604 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.466 ' HB2' HG12 ' A' ' 50' ' ' ILE . 10.4 m -124.44 116.68 22.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 167.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 m -81.45 100.61 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.178 0.513 . . . . 0.0 110.905 -177.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.613 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.6 mt -79.65 149.47 31.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.825 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -112.14 99.76 8.31 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mm -90.17 134.11 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.026 -174.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -84.72 108.9 17.66 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.484 HG23 ' HD2' ' A' ' 15' ' ' PRO . 66.5 mt -65.81 139.66 96.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.198 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HD2' HG23 ' A' ' 14' ' ' ILE . 25.2 Cg_exo -56.7 145.64 81.24 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.64 2.227 . . . . 0.0 110.821 176.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.55 -23.96 66.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.626 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -89.18 -32.31 17.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.101 0.476 . . . . 0.0 110.944 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.408 HD13 ' HB2' ' A' ' 15' ' ' PRO . 1.5 mp -77.43 134.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.964 -177.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.07 142.73 30.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.088 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -74.27 96.7 2.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 23' ' ' ALA . 32.3 p30 -151.96 -177.23 6.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.402 -176.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.39 -25.76 66.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.373 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -59.73 -42.45 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.111 0.481 . . . . 0.0 110.425 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.1 tt -59.39 -45.33 91.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.623 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 81.4 tttt -61.54 -48.12 82.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.548 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.2 m -64.99 -32.18 57.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.405 -176.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 65.6 mtt180 -64.58 -53.12 52.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.117 0.484 . . . . 0.0 110.125 173.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.716 ' O ' HG11 ' A' ' 34' ' ' VAL . 19.0 mt -68.73 -29.48 67.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.622 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.524 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.5 mt -65.9 -6.96 13.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 111.465 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -106.84 17.02 23.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.21 175.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.56 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 82.6 m -92.08 143.49 26.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.796 0.331 . . . . 0.0 110.318 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.29 107.43 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 111.801 -174.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.34 10.93 28.53 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.947 -0.569 . . . . 0.0 113.111 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.716 HG11 ' O ' ' A' ' 28' ' ' LEU . 32.7 m -80.27 145.23 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.964 0.411 . . . . 0.0 111.126 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 32.2 mmmt -117.02 -31.92 5.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.065 173.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -169.42 141.23 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.178 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.542 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 97.9 t -120.6 130.01 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.361 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 6.5 mp -116.18 141.2 48.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.721 178.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -99.98 133.2 43.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 120.939 0.399 . . . . 0.0 110.288 175.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.28 82.92 1.92 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.413 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 27.6 mt-10 -58.61 -38.27 77.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.619 -176.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.24 -38.37 90.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.747 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -88.94 -8.13 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.102 0.477 . . . . 0.0 110.765 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.464 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 9.8 t60 55.04 42.55 30.84 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.6 -171.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -135.43 175.86 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.559 -172.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.81 136.28 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.93 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.613 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 65.8 m-85 -103.32 104.93 15.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.218 0.532 . . . . 0.0 109.996 174.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.434 HG13 HG22 ' A' ' 37' ' ' VAL . 56.7 t -105.16 113.21 41.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -83.66 122.48 28.67 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.928 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.616 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 5.5 pt -105.5 156.45 6.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.776 -175.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' HD3' ' A' ' 35' ' ' LYS . 34.1 t70 -87.2 99.09 11.69 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.7 p -68.21 1.34 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.13 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 9.3 mmpt? -88.49 -39.14 14.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.5 p -91.84 -27.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.463 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 t -144.02 176.73 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.707 0.289 . . . . 0.0 110.856 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -127.29 162.87 25.21 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 173.846 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.654 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 37.6 ttp180 -46.32 -53.37 10.96 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -175.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.27 -43.69 77.23 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.183 -171.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.73 -52.56 64.59 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.987 0.423 . . . . 0.0 111.036 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.553 ' O ' HD12 ' A' ' 64' ' ' ILE . 14.0 p -67.94 -36.43 75.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.417 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.654 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 6.7 tm-20 -57.35 -47.92 80.36 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.808 0.443 . . . . 0.0 110.174 177.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 35.9 tt0 -57.71 -40.93 80.68 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.244 177.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.81 87.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.661 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -62.08 -50.19 81.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.539 178.121 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -62.56 -35.03 78.19 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.141 -179.051 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 27.6 mt-30 -64.21 -36.46 84.15 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.97 -25.84 65.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.32 0.581 . . . . 0.0 110.062 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.18 -41.45 10.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.374 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.649 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.7 m . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.469 ' HB2' HG12 ' A' ' 50' ' ' ILE . 21.8 m -119.29 120.95 38.48 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 164.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 p -85.5 114.8 22.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.031 0.443 . . . . 0.0 111.034 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.655 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 5.2 mt -95.3 144.26 26.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.51 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -104.61 103.74 13.45 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.1 mm -92.43 131.34 39.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.153 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -76.86 112.26 13.27 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.8 mt -72.68 140.95 81.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 14' ' ' ILE . 16.4 Cg_exo -62.06 152.8 73.36 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.471 2.114 . . . . 0.0 110.787 173.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.43 59.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.18 -35.12 56.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.256 0.55 . . . . 0.0 110.328 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.95 133.25 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.082 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.61 136.19 34.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.326 0.584 . . . . 0.0 111.116 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -84.42 94.28 8.48 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.104 177.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -159.29 -172.74 3.86 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 41.7 tt0 -56.77 -31.18 64.36 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.67 86.37 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.0 0.429 . . . . 0.0 110.886 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.2 tt -64.89 -41.31 95.72 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.621 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.7 tttt -59.12 -53.01 63.16 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.098 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.56 -34.77 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -71.51 -37.18 71.24 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.868 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.679 ' O ' HG11 ' A' ' 34' ' ' VAL . 30.6 mt -74.65 -29.05 61.11 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 120.837 0.351 . . . . 0.0 110.752 177.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD11 ' HE2' ' A' ' 25' ' ' LYS . 25.7 mt -65.83 -5.16 8.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 111.257 174.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -97.77 7.87 45.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.047 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.574 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 32.8 m -88.33 143.97 26.69 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 -177.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.47 114.18 4.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 0.0 111.292 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.8 24.13 12.47 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.004 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 28' ' ' LEU . 26.8 m -90.49 134.28 29.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.196 0.522 . . . . 0.0 111.028 178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.493 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 71.2 mmtt -106.41 -36.74 6.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.296 174.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -168.74 140.96 2.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.386 -174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.45 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.6 t -123.81 125.8 71.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.998 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 9.2 tt -118.18 131.55 56.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.818 -178.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -92.44 121.6 43.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.11 0.481 . . . . 0.0 110.003 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.59 83.04 1.8 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.656 175.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.86 -20.4 65.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.785 0.326 . . . . 0.0 110.631 -178.576 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.0 -29.96 68.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.193 173.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -115.94 0.41 13.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.844 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.417 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 38.7 t60 48.68 40.77 16.51 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.838 0.828 . . . . 0.0 109.389 -170.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -129.88 164.58 23.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.348 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -118.5 131.81 56.23 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.239 178.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.655 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 7.7 m-85 -99.49 103.41 15.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.474 0.654 . . . . 0.0 109.542 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.86 114.01 41.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.897 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.509 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 91.7 mttt -88.21 122.27 31.56 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.418 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.649 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 10.2 pt -104.44 155.52 5.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.67 -173.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.493 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 36.0 t70 -81.7 99.21 8.8 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 170.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 m -69.05 2.0 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.582 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -88.13 -43.06 11.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.575 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.4 p -89.82 -32.04 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 t -143.95 179.52 7.13 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.055 -174.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.439 ' O ' HG12 ' A' ' 60' ' ' VAL . 25.1 m-80 -126.99 161.12 29.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 46.9 ttp180 -46.85 -51.54 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -174.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.2 -41.11 64.17 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.998 -167.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -64.37 -48.16 76.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 50' ' ' ILE . 11.2 p -68.16 -37.89 78.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.325 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -53.35 -46.89 69.71 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.12 0.486 . . . . 0.0 109.777 174.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 51.9 tt0 -54.66 -46.25 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.253 177.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.05 77.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -65.96 -47.64 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.32 177.868 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 6.8 ppt_? -65.86 -33.05 74.96 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.235 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.1 mt-30 -68.36 -29.44 68.16 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.49 175.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.91 75.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.183 0.516 . . . . 0.0 109.67 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.8 mt -77.58 -26.65 50.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.482 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.816 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.731 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.9 m . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.31 0.576 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.469 ' HB3' HG12 ' A' ' 50' ' ' ILE . 13.2 t -133.76 112.58 11.48 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 168.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -79.2 100.93 7.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.947 0.403 . . . . 0.0 110.702 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.471 HD13 ' HG3' ' A' ' 57' ' ' ARG . 12.6 mt -79.5 127.14 31.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.184 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 24.5 ttp180 -87.99 104.58 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -91.76 128.43 43.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.765 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -77.96 108.99 11.62 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.466 HG23 ' HD2' ' A' ' 15' ' ' PRO . 92.7 mt -73.58 139.95 78.25 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.947 -173.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 14' ' ' ILE . 17.3 Cg_exo -59.81 154.11 52.06 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.551 2.168 . . . . 0.0 111.276 176.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.22 -41.73 73.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.338 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.73 -28.03 44.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.539 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.73 131.89 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.01 131.82 35.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.095 0.474 . . . . 0.0 110.776 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.611 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -79.69 92.29 5.37 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.986 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -154.74 -168.4 2.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.314 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.37 -30.8 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.26 88.92 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.003 0.43 . . . . 0.0 110.857 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.656 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.2 tt -64.25 -41.57 96.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.404 0.621 . . . . 0.0 109.569 175.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.597 ' HE2' HD11 ' A' ' 29' ' ' LEU . 82.6 tttt -60.08 -52.18 66.45 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.241 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 33.2 m -66.74 -35.78 75.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -173.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -68.78 -35.88 77.6 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.412 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.3 mt -76.26 -30.55 57.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.003 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.597 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.8 mt -63.61 -20.26 65.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.54 178.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 8.9 mm-40 -82.69 10.96 6.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 0.0 111.374 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.429 ' HB ' ' CG2' ' A' ' 34' ' ' VAL . 3.2 m -96.7 147.75 23.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.932 0.396 . . . . 0.0 110.59 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -76.89 119.84 21.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.312 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.0 -10.07 40.18 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.444 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.429 ' CG2' ' HB ' ' A' ' 31' ' ' THR . 97.2 t -71.74 125.85 31.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.384 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -97.79 -32.32 11.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.239 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' ' 38' ' ' LEU . 31.5 tt0 -170.25 141.02 1.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.455 -177.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.544 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 97.3 t -117.76 128.25 74.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.965 0.412 . . . . 0.0 110.402 178.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 8.9 mp -110.75 140.5 45.1 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.75 128.83 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.15 86.76 2.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.818 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.611 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 1.1 mm-40 -63.43 -23.5 67.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 110.595 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 42' ' ' GLU . 1.8 mp0 -59.61 -33.67 71.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.481 176.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -108.73 -7.27 15.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.6 t60 54.4 40.25 31.62 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.625 -171.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.433 ' HA ' HG13 ' A' ' 14' ' ' ILE . 67.7 m -140.67 162.04 36.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.869 -177.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -110.81 147.94 33.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.404 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.552 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 40.5 m-85 -112.76 103.73 11.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.285 0.564 . . . . 0.0 109.621 170.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.405 HG22 HG13 ' A' ' 37' ' ' VAL . 57.8 t -100.01 110.76 27.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.336 -176.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -80.36 120.95 25.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.297 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.731 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 15.8 pt -105.07 149.34 8.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.44 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.468 ' HB3' HG12 ' A' ' 54' ' ' VAL . 22.5 t70 -88.64 107.53 18.97 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 169.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 m -64.9 -11.21 35.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.227 -174.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -83.87 -31.23 25.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.549 0.214 . . . . 0.0 111.198 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 51' ' ' ASP . 10.6 p -105.13 -32.02 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -126.88 176.91 6.94 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.639 -173.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -129.77 141.8 50.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.532 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.607 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 43.2 ttp180 -47.09 -54.04 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.68 -42.92 81.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -173.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.03 -45.91 83.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.329 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.583 ' O ' HD12 ' A' ' 64' ' ' ILE . 7.8 p -70.22 -40.16 77.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 5.6 tm-20 -53.73 -45.18 70.42 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.235 0.614 . . . . 0.0 109.579 174.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 50.3 tt0 -54.58 -49.09 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.291 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.38 90.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.6 -50.04 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.66 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -63.46 -35.88 81.91 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.236 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.3 mt-30 -63.37 -27.5 69.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.066 0.46 . . . . 0.0 111.263 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.11 -21.81 62.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.724 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -94.78 -34.47 12.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.199 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.364 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 18.5 m . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 121.271 0.557 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 t -118.34 122.22 42.33 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -84.23 113.16 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.896 0.379 . . . . 0.0 110.335 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.4 mt -99.6 124.06 44.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.425 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 35.4 ttm180 -84.85 102.66 13.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mm -91.06 126.22 43.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.368 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -76.42 111.86 12.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.054 0.454 . . . . 0.0 109.881 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.522 HG23 ' HD2' ' A' ' 15' ' ' PRO . 80.0 mt -78.22 142.5 63.59 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.519 -176.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' HG23 ' A' ' 14' ' ' ILE . 19.4 Cg_exo -57.51 144.82 91.18 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.569 2.179 . . . . 0.0 110.659 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.38 -24.0 65.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.269 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.32 -39.88 17.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.563 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.29 132.44 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.275 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.85 134.41 35.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.159 0.504 . . . . 0.0 111.716 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -76.02 95.5 3.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.632 174.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -159.67 -169.86 2.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.55 -28.77 69.57 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -175.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.9 84.8 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.473 0.654 . . . . 0.0 110.094 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 1.3 tp -63.06 -44.58 95.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.344 174.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HE2' HD11 ' A' ' 29' ' ' LEU . 82.1 tttt -58.14 -52.94 63.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.525 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.0 -32.93 60.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -72.57 -37.02 68.32 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.378 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD22 HG23 ' A' ' 64' ' ' ILE . 39.7 mt -76.1 -29.87 58.07 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.014 178.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD11 ' HE2' ' A' ' 25' ' ' LYS . 15.9 mt -64.25 -11.89 35.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 177.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -97.56 14.74 25.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.61 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 19.7 m -89.96 143.83 26.44 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.34 111.81 2.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.411 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.9 14.14 29.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.101 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.61 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 30.1 m -83.09 149.73 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.941 0.401 . . . . 0.0 110.631 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.455 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 70.6 mmtt -117.87 -37.63 3.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.413 173.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -168.37 140.92 2.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.499 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.442 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.5 t -118.74 120.53 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.365 0.603 . . . . 0.0 111.325 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.9 mp -100.76 140.88 34.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.837 177.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -100.1 133.65 42.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.965 0.412 . . . . 0.0 110.071 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.03 81.15 1.94 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.983 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.643 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 43.0 mt-10 -61.29 -31.09 70.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.422 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.47 -25.31 67.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.378 0.608 . . . . 0.0 110.466 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -110.81 -2.27 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.345 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 t60 50.78 39.86 23.15 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.608 -171.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.408 ' HA ' HG13 ' A' ' 14' ' ' ILE . 67.5 m -138.64 166.88 23.21 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.729 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -114.34 154.94 27.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.393 177.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.508 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 69.8 m-85 -118.23 103.17 9.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.457 0.646 . . . . 0.0 109.784 169.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.8 t -99.84 114.12 37.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.36 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -80.78 119.12 22.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.594 HG21 HG11 ' A' ' 60' ' ' VAL . 33.6 pt -105.21 166.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.47 0.652 . . . . 0.0 111.435 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.455 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 29.7 t70 -97.36 105.27 17.39 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.657 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -70.7 -0.65 9.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.817 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -87.97 -29.13 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 0.0 110.703 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -109.33 -27.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -139.79 176.84 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.881 -175.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.472 ' O ' HG12 ' A' ' 60' ' ' VAL . 61.2 t30 -127.82 142.72 51.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.137 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.607 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 34.7 ttp180 -46.04 -54.94 7.58 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -172.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.77 -36.67 80.9 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.067 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -68.44 -52.18 35.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.577 -179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 50' ' ' ILE . 14.9 p -66.76 -33.7 65.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.512 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -55.86 -45.43 78.48 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 50.1 tt0 -61.11 -39.12 88.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.669 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.87 90.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.89 0.376 . . . . 0.0 110.652 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.601 HG23 HD22 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -62.98 -47.55 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.296 177.423 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -62.77 -34.19 76.72 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.341 -179.054 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.89 -33.07 75.0 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.806 0.336 . . . . 0.0 111.584 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.26 -21.24 65.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.264 0.554 . . . . 0.0 110.282 175.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 ' HD3' ' A' ' 15' ' ' PRO . 64.0 mt -93.9 -40.27 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.924 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.789 -178.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.55 HG22 ' HB3' ' A' ' 49' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.445 -0.708 0 CA-C-O 121.333 0.587 . . . . 0.0 112.147 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 m -134.39 124.63 26.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.326 172.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 p -91.92 101.48 14.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.94 0.4 . . . . 0.0 110.803 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.6 mt -79.99 133.36 36.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.419 -177.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -92.83 106.04 18.07 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.25 132.58 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.108 -178.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 8.0 pt-20 -81.24 108.61 15.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.51 0.672 . . . . 0.0 109.828 175.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 15' ' ' PRO . 75.8 mt -72.56 137.22 80.58 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.162 -176.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 14' ' ' ILE . 35.9 Cg_exo -54.56 142.73 70.73 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.69 2.26 . . . . 0.0 111.341 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.51 -25.0 67.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.72 -29.85 25.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mp -84.14 133.51 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.19 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.68 141.67 32.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -78.56 95.46 5.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.617 176.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.68 -175.81 5.6 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.451 -177.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.16 -28.01 69.46 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.88 83.14 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.497 0.665 . . . . 0.0 110.274 177.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.572 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.1 tt -61.31 -45.19 95.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.366 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HE2' HD11 ' A' ' 29' ' ' LEU . 81.6 tttt -58.49 -52.39 65.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.674 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.46 -34.75 71.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -73.83 -36.11 64.91 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.509 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.677 ' O ' HG11 ' A' ' 34' ' ' VAL . 34.2 mt -73.67 -29.81 62.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.749 0.309 . . . . 0.0 110.403 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.544 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.8 mt -64.99 -4.88 5.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.721 0.296 . . . . 0.0 111.488 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -105.94 8.69 32.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.149 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.596 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 16.9 m -87.22 144.43 26.82 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.009 0.433 . . . . 0.0 109.962 -177.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.52 110.79 2.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.326 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.52 3.01 35.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.995 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.677 HG11 ' O ' ' A' ' 28' ' ' LEU . 21.9 m -76.6 142.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.289 0.566 . . . . 0.0 110.93 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -113.56 -37.14 4.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.484 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -169.21 140.78 2.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.942 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.479 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 87.7 t -120.59 126.33 75.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.098 0.475 . . . . 0.0 110.925 -177.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.6 mp -109.41 140.76 42.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.15 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -106.42 131.1 57.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.957 0.408 . . . . 0.0 110.298 174.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.15 89.88 3.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.551 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 44.4 mt-10 -60.43 -38.94 85.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.696 -175.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.36 -35.33 80.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.761 0.315 . . . . 0.0 110.948 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -90.0 -7.15 54.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.482 . . . . 0.0 110.382 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 51.75 38.91 24.25 Favored 'General case' 0 C--N 1.335 -0.062 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.678 -172.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.402 ' HA ' HG13 ' A' ' 14' ' ' ILE . 25.3 m -139.76 160.76 39.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.186 -176.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.79 149.01 37.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.356 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 94.6 m-85 -113.49 104.13 11.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.216 0.531 . . . . 0.0 109.589 171.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.409 HG22 HG13 ' A' ' 37' ' ' VAL . 60.6 t -100.96 113.73 37.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.609 -176.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.55 ' HB3' HG22 ' A' ' 7' ' ' VAL . 79.1 mttt -80.91 121.31 25.83 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.209 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 35.2 pt -105.9 165.27 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.49 0.662 . . . . 0.0 111.549 -178.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.542 ' HB3' HG12 ' A' ' 54' ' ' VAL . 18.4 t70 -103.62 100.34 10.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.942 -1.481 . . . . 0.0 108.685 172.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.589 ' HA ' ' O ' ' A' ' 55' ' ' THR . 24.1 p -67.65 -1.45 5.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -173.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 13.1 mmmm -88.96 -37.46 15.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.776 0.322 . . . . 0.0 111.085 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.542 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.0 p -91.28 -27.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.589 ' O ' ' HA ' ' A' ' 52' ' ' SER . 11.3 t -154.98 157.73 38.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.382 -177.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.428 ' O ' HG12 ' A' ' 60' ' ' VAL . 40.4 m-80 -102.3 164.43 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 40.7 ttp180 -46.73 -55.44 7.81 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 123.741 0.651 . . . . 0.0 112.726 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.72 -43.03 94.71 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.351 -165.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -63.41 -52.8 60.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 111.36 -177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.591 ' O ' HD12 ' A' ' 64' ' ' ILE . 14.7 p -70.75 -37.36 68.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 34.5 tt0 -57.76 -43.95 85.79 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.386 0.674 . . . . 0.0 110.198 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.473 ' HG3' ' NH2' ' A' ' 65' ' ' ARG . 29.4 tt0 -58.91 -44.33 91.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.178 176.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.99 96.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.33 -48.33 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.624 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.473 ' NH2' ' HG3' ' A' ' 62' ' ' GLN . 5.7 ppt_? -66.09 -35.54 80.78 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.273 -0.571 . . . . 0.0 111.143 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 28.5 mt-30 -65.47 -32.41 74.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.737 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.3 -22.71 65.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.217 0.532 . . . . 0.0 110.167 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.7 mt -91.0 -31.04 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.469 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.859 -179.408 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 120.981 0.42 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 m -123.94 112.69 17.52 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -82.1 111.77 18.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.092 0.472 . . . . 0.0 109.786 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.5 HD22 ' HG3' ' A' ' 57' ' ' ARG . 10.0 mt -95.41 127.29 41.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.084 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -87.63 102.15 14.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.172 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -91.87 128.89 43.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.969 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -77.42 110.47 12.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.876 0.37 . . . . 0.0 110.08 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.434 HG13 ' HA ' ' A' ' 45' ' ' SER . 67.2 mt -69.46 139.28 89.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.388 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 14' ' ' ILE . 22.5 Cg_exo -59.87 157.37 33.76 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.768 2.312 . . . . 0.0 111.073 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.52 -34.78 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.904 0.383 . . . . 0.0 110.686 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.46 -43.48 32.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.578 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.02 130.79 33.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.459 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.18 143.42 32.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.168 0.509 . . . . 0.0 111.483 -177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.73 91.49 8.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.182 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -153.79 -173.48 4.59 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.239 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 34.2 tt0 -60.9 -32.46 71.92 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -175.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.79 83.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.473 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 10.1 tt -61.52 -43.72 98.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.25 175.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HE2' HD11 ' A' ' 29' ' ' LEU . 78.5 tttt -60.31 -54.16 49.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.649 -178.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.7 m -66.53 -32.04 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.086 -172.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.18 -36.14 64.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.303 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 34.4 mt -73.45 -29.12 62.35 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.571 175.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.623 HD11 ' HE2' ' A' ' 25' ' ' LYS . 18.7 mt -64.26 -6.12 6.27 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.498 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 42.5 mt-10 -100.28 16.66 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.611 0.243 . . . . 0.0 111.04 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.594 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 10.1 m -94.63 144.74 25.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -177.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.89 110.74 5.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.108 0.48 . . . . 0.0 111.317 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.81 17.82 13.82 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.609 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.594 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 35.3 m -85.44 142.66 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.345 0.593 . . . . 0.0 111.395 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -110.65 -38.39 5.18 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.677 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -170.45 140.58 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.645 -175.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.541 HG22 HG13 ' A' ' 48' ' ' VAL . 95.0 t -118.21 128.22 75.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.998 0.428 . . . . 0.0 110.667 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.9 mp -112.68 140.32 47.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.037 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.07 120.14 50.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 171.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.27 87.23 2.83 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -64.25 -39.29 93.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 -171.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.37 -30.2 69.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.312 0.577 . . . . 0.0 110.425 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -88.78 -11.16 45.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.36 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t60 53.83 36.37 23.9 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.131 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.434 ' HA ' HG13 ' A' ' 14' ' ' ILE . 48.7 m -138.22 165.68 26.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.429 -175.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.01 144.82 43.01 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.444 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 59.8 m-85 -111.53 103.21 11.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.483 0.658 . . . . 0.0 109.501 171.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 37' ' ' VAL . 32.9 t -101.34 110.04 27.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.976 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -83.34 122.12 28.04 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.755 HG21 HG11 ' A' ' 60' ' ' VAL . 44.6 pt -105.1 161.6 4.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.687 0.756 . . . . 0.0 111.57 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.03 100.78 13.18 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.74 -1.573 . . . . 0.0 108.091 173.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 m -70.37 0.78 5.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.358 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -88.66 -38.06 15.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.0 110.645 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.8 p -95.46 -34.74 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -126.88 -179.9 5.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.1 0.476 . . . . 0.0 111.584 -172.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.499 ' O ' HG12 ' A' ' 60' ' ' VAL . 54.1 t30 -134.6 137.45 43.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.45 -178.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.728 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 4.0 ttp180 -45.83 -54.71 7.63 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.32 -45.28 92.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -172.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -66.14 -49.21 68.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.332 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.755 HG11 HG21 ' A' ' 50' ' ' ILE . 12.3 p -68.17 -36.47 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.193 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.728 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 8.3 tm-20 -54.76 -45.65 74.23 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.399 0.68 . . . . 0.0 109.779 175.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.578 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 28.1 tt0 -55.55 -49.79 71.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.238 176.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.25 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 0.0 111.013 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.9 OUTLIER -64.6 -49.79 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.403 178.504 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 7.2 ppt_? -62.54 -38.33 89.58 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.401 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 96.9 mt-30 -60.82 -37.78 83.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.554 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.49 82.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.833 0.349 . . . . 0.0 110.286 175.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -77.24 -32.98 56.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.878 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.016 -178.519 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.914 0.387 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -78.87 167.81 53.04 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.128 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -103.82 19.52 19.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.428 0.632 . . . . 0.0 109.836 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -121.78 90.15 48.2 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.974 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 60.5 Cg_endo -76.73 160.88 34.18 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.657 2.238 . . . . 0.0 111.661 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 7.6 Cg_exo -72.49 24.48 0.28 Allowed 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.042 2.494 . . . . 0.0 112.779 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' H ' ' C ' ' A' ' 4' ' ' PRO . 56.3 m-85 -123.73 11.02 9.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.537 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.625 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.2 m -77.17 124.41 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 121.312 0.577 . . . . 0.0 111.784 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -118.33 117.93 30.41 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -82.47 108.04 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.062 0.458 . . . . 0.0 110.77 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.657 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.3 mt -81.78 148.67 28.77 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -109.44 98.36 7.77 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -90.74 135.87 25.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.915 -176.061 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.38 115.05 21.24 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.465 HG23 ' HD2' ' A' ' 15' ' ' PRO . 58.1 mt -66.55 138.35 95.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.32 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.465 ' HD2' HG23 ' A' ' 14' ' ' ILE . 22.4 Cg_exo -56.29 152.15 40.35 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.67 2.246 . . . . 0.0 111.155 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -25.42 65.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.824 -175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -93.25 -28.65 16.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.211 0.529 . . . . 0.0 110.617 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.57 139.26 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.114 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.77 151.0 21.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.952 0.406 . . . . 0.0 111.121 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 41' ' ' GLU . . . -76.21 86.72 3.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.455 173.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -142.28 177.3 8.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.715 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.42 -25.86 66.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.91 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.69 90.66 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.198 0.523 . . . . 0.0 110.098 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 10.2 tt -60.95 -39.86 91.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.609 174.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HB2' HD13 ' A' ' 39' ' ' ILE . 79.2 tttt -64.93 -53.59 43.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.476 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.97 -33.82 62.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -71.84 -39.12 69.98 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.546 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.1 mt -74.37 -29.81 61.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.456 -0.152 . . . . 0.0 111.268 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.522 HD11 ' HE2' ' A' ' 25' ' ' LYS . 16.0 mt -65.96 -9.44 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.625 0.25 . . . . 0.0 111.635 177.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -95.72 14.4 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.601 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 13.9 m -93.6 144.31 25.5 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -67.23 114.04 5.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.018 0.437 . . . . 0.0 111.274 -175.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.48 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 103.81 8.87 38.84 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.927 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.601 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.3 m -78.25 137.65 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.082 0.468 . . . . 0.0 111.061 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -114.12 -26.49 8.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.286 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -168.17 144.17 3.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.925 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.604 HG22 HG13 ' A' ' 48' ' ' VAL . 88.2 t -128.53 112.66 27.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -107.0 117.15 33.31 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.626 -176.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.5 mp -76.74 129.63 37.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-O 121.156 0.503 . . . . 0.0 110.124 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.93 85.36 2.1 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 20' ' ' ALA . 37.3 mt-10 -59.79 -40.32 87.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.05 -22.39 59.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.342 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -100.27 -7.18 24.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.04 0.448 . . . . 0.0 110.934 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 21.3 t60 53.77 40.24 31.26 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.288 -173.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.8 m -138.42 170.98 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.003 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -128.28 129.12 45.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.225 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.657 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 34.0 m-85 -99.81 102.85 14.4 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.289 0.566 . . . . 0.0 109.663 174.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.604 HG13 HG22 ' A' ' 37' ' ' VAL . 21.3 t -104.74 117.02 49.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.188 -176.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -82.82 126.11 32.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.02 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.625 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 26.5 pt -104.11 149.9 7.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.391 -177.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' A' ' 53' ' ' LYS . 14.2 t70 -93.03 103.86 16.13 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.114 173.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.4 m -69.74 1.32 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -174.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 30.1 mmmt -88.28 -28.36 21.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.152 -0.343 . . . . 0.0 110.597 176.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -110.34 -39.7 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.48 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 14.9 t -128.18 161.23 29.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.158 0.504 . . . . 0.0 111.673 -171.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 60' ' ' VAL . 43.2 t30 -114.33 147.53 38.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.414 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.603 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 53.1 ttp180 -47.18 -54.53 10.44 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -173.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -63.63 -44.74 93.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.816 0.341 . . . . 0.0 110.724 -175.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.06 -51.67 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.052 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.577 ' O ' HD12 ' A' ' 64' ' ' ILE . 13.5 p -68.42 -37.15 77.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.603 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.2 tm-20 -55.46 -48.87 73.82 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.224 0.61 . . . . 0.0 109.908 176.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 35.4 tt0 -56.55 -43.52 80.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.702 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.23 83.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -61.33 -45.89 97.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.526 178.533 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 6.1 ppt_? -68.28 -32.26 72.29 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.4 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 57.0 mt-30 -65.66 -28.79 69.34 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.555 176.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.28 -21.14 62.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.308 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.421 HD13 ' HD3' ' A' ' 15' ' ' PRO . 54.7 mt -91.66 -39.64 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.056 175.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.517 178.903 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.951 0.405 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 120.91 -135.74 10.93 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.043 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 67.33 -177.67 0.21 Allowed 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.045 0.538 . . . . 0.0 111.21 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.43 ' HG2' ' HD2' ' A' ' 49' ' ' LYS . 6.6 mp0 -74.33 151.59 87.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.617 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -83.05 173.52 10.01 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.049 2.5 . . . . 0.0 112.088 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.64 -179.25 1.52 Allowed 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.521 2.148 . . . . 0.0 112.344 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 70.54 5.41 5.38 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.567 0.747 . . . . 0.0 111.767 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.624 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.0 m -80.95 138.27 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 121.421 0.629 . . . . 0.0 111.87 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -117.53 115.88 26.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.84 171.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -82.76 108.44 16.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 0.0 110.978 -176.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.61 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 6.8 mt -90.18 135.72 33.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.986 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -97.98 99.62 10.92 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mm -91.06 128.42 42.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.155 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.03 108.45 12.53 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.548 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.2 mt -68.25 139.38 92.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.548 ' HD2' HG23 ' A' ' 14' ' ' ILE . 21.5 Cg_exo -55.34 157.38 14.61 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 123.083 2.522 . . . . 0.0 111.542 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.64 -19.53 60.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.983 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -92.77 -41.81 9.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.922 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.431 HD13 ' HG2' ' A' ' 15' ' ' PRO . 2.1 mp -71.18 128.96 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.846 -177.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 143.96 32.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.139 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -79.42 90.98 5.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.085 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -151.26 -175.18 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.913 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.41 -30.94 68.82 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.06 -42.44 80.57 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.264 0.554 . . . . 0.0 110.612 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.5 tt -61.79 -42.05 98.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.541 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.6 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.4 tttt -61.32 -53.27 58.9 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.604 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -63.42 -34.67 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -73.48 -38.98 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.976 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.5 mt -70.34 -29.57 66.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.592 177.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.6 HD11 ' HE2' ' A' ' 25' ' ' LYS . 19.0 mt -65.22 -6.58 9.84 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.585 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -101.86 26.23 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.575 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 8.8 m -108.43 146.94 32.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.644 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -57.09 118.78 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.708 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.9 7.47 66.11 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.601 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.584 HG11 ' O ' ' A' ' 28' ' ' LEU . 32.6 m -71.42 136.88 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 117.161 0.48 . . . . 0.0 110.645 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 28.0 mmmt -111.8 -31.51 6.93 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HG3' HD12 ' A' ' 38' ' ' LEU . 6.5 tp10 -170.29 146.3 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.913 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.1 t -123.77 115.14 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.005 0.431 . . . . 0.0 110.272 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.6 mp -96.83 135.64 38.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.176 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.504 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.6 mp -96.24 121.61 46.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 170.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.57 85.54 2.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.27 -25.14 65.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.6 -174.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.09 -9.04 59.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.96 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -119.39 -8.33 10.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.169 0.509 . . . . 0.0 110.93 -172.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.5 t60 53.3 36.58 23.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.877 0.846 . . . . 0.0 109.045 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 m -138.12 165.95 25.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.163 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.16 139.14 54.11 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.61 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 54.9 m-85 -107.71 103.0 12.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.562 0.696 . . . . 0.0 110.031 173.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 49.0 t -96.4 111.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.832 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HD2' ' HG2' ' A' ' 3' ' ' GLU . 84.6 mttt -86.27 115.19 23.66 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.722 HG21 HG11 ' A' ' 60' ' ' VAL . 43.0 pt -104.88 166.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.356 0.598 . . . . 0.0 111.428 -178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' HB3' HG12 ' A' ' 54' ' ' VAL . 27.4 t70 -89.78 109.27 20.28 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.874 172.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 p -63.72 -7.74 8.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.631 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -88.46 -47.5 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.618 0.247 . . . . 0.0 111.289 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.456 HG12 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -84.99 -29.62 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -175.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -135.79 179.13 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.397 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.473 ' O ' HG12 ' A' ' 60' ' ' VAL . 48.5 t-20 -135.12 140.13 45.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 47.1 ttp180 -46.07 -54.43 8.53 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.19 -38.62 82.19 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.1 -171.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 62' ' ' GLN . 47.5 mt-10 -68.59 -48.22 64.73 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.255 0.55 . . . . 0.0 110.686 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.722 HG11 HG21 ' A' ' 50' ' ' ILE . 12.1 p -69.29 -35.65 68.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.236 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.6 tm-20 -55.98 -43.62 77.77 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.492 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 59.2 tt0 -54.44 -45.5 73.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.486 176.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.31 -42.17 88.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.52 -46.52 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.464 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.4 ppt_? -62.2 -37.47 85.43 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -64.21 -32.82 74.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.626 0.25 . . . . 0.0 111.585 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.7 -21.97 63.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.192 0.52 . . . . 0.0 110.327 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD13 ' HD3' ' A' ' 15' ' ' PRO . 72.1 mt -89.98 -29.42 18.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.335 174.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 55.0 mm-40 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.294 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.555 0.217 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -110.8 142.71 16.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.38 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm 69.21 131.0 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.668 0.747 . . . . 0.0 111.983 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -94.27 137.31 22.84 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.478 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 72.9 Cg_endo -78.94 159.26 27.42 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.983 2.455 . . . . 0.0 113.103 -171.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 3.3 Cg_exo -77.08 17.83 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.264 2.643 . . . . 0.0 112.327 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -100.07 9.97 42.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.415 0.626 . . . . 0.0 109.572 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.634 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 12.6 m -72.16 130.68 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.345 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 9.0 t -126.73 125.93 42.62 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -90.38 108.28 19.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.207 0.527 . . . . 0.0 110.842 -176.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.2 mt -90.25 118.12 29.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.263 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -78.67 97.96 6.03 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 10' ' ' LEU . 2.8 mm -91.46 129.14 42.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.89 119.3 21.87 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.428 HG13 ' HA ' ' A' ' 45' ' ' SER . 66.7 mt -70.16 139.01 87.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.639 -176.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.7 Cg_exo -58.14 157.82 24.1 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.692 2.262 . . . . 0.0 111.404 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.71 75.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.63 -39.39 31.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.077 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.63 134.8 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.244 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.95 148.46 26.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.199 0.524 . . . . 0.0 111.525 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.88 93.61 8.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.589 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -167.37 -166.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -62.07 -32.09 72.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.597 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.77 82.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.265 0.555 . . . . 0.0 110.505 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 tt -65.33 -43.01 92.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.558 176.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 67.7 tttt -62.94 -52.15 64.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.491 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.65 -32.77 59.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -72.06 -39.16 69.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.245 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.541 ' O ' HG11 ' A' ' 34' ' ' VAL . 33.0 mt -76.19 -29.37 57.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.425 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.01 -4.93 3.84 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.31 17.7 22.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.705 0.288 . . . . 0.0 110.891 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.586 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 14.8 m -97.55 143.93 27.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.72 113.05 4.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.717 0.294 . . . . 0.0 111.378 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 103.98 11.01 33.31 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.731 176.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.586 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 33.0 m -80.88 143.34 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 110.715 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -117.08 -35.12 4.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.213 0.53 . . . . 0.0 110.052 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -167.05 141.33 3.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.173 -175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.569 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 62.8 t -120.69 113.62 40.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -105.79 106.96 17.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.596 -174.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.402 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -75.99 130.23 36.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.101 0.477 . . . . 0.0 110.207 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.84 89.8 3.17 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.07 -41.93 93.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.451 -172.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -74.94 -28.52 60.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.358 . . . . 0.0 111.328 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -83.08 -13.13 56.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.157 0.503 . . . . 0.0 110.443 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.8 t60 58.03 39.94 25.89 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.304 -174.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.428 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.4 m -142.27 165.76 26.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.506 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.82 129.54 26.24 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 175.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 63.7 m-85 -89.99 107.16 18.95 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.98 0.419 . . . . 0.0 110.586 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.4 t -88.67 108.37 18.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HG2' ' HB ' ' A' ' 7' ' ' VAL . 4.7 ttmm -82.43 114.77 21.1 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.884 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.691 HG21 HG11 ' A' ' 60' ' ' VAL . 49.6 pt -104.82 170.7 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 CA-C-O 121.506 0.669 . . . . 0.0 111.922 -173.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.56 ' HB3' HG12 ' A' ' 54' ' ' VAL . 15.4 t70 -104.82 102.58 12.13 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.943 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -67.8 -2.38 7.07 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -89.04 -39.31 13.75 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.067 -0.396 . . . . 0.0 110.977 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.56 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.9 p -92.3 -27.09 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.31 -178.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.443 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 12.7 t -145.19 165.53 28.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.43 . . . . 0.0 111.159 -176.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.511 ' O ' HG12 ' A' ' 60' ' ' VAL . 95.1 m-20 -118.01 154.04 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.516 177.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.547 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 16.7 ttm-85 -45.96 -53.52 9.84 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.62 -43.4 80.47 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.102 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.53 -51.97 65.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.289 0.566 . . . . 0.0 110.832 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.691 HG11 HG21 ' A' ' 50' ' ' ILE . 13.2 p -68.98 -37.63 77.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.525 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 6.5 tm-20 -54.17 -46.98 72.46 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.461 ' HG3' ' NH2' ' A' ' 65' ' ' ARG . 53.5 tt0 -54.99 -44.25 74.3 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.613 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.06 79.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.69 -49.44 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.309 178.503 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' NH2' ' HG3' ' A' ' 62' ' ' GLN . 4.9 ppt_? -62.09 -36.62 82.26 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.17 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.09 -29.79 70.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.82 0.343 . . . . 0.0 111.707 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.49 61.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.961 0.41 . . . . 0.0 110.403 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.461 HD13 ' HD3' ' A' ' 15' ' ' PRO . 62.4 mt -95.47 -27.89 15.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 176.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.438 179.234 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 62.0 ttp . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.787 0.327 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 95.96 168.16 34.81 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.829 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 57.21 76.11 0.33 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.569 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -75.06 117.26 61.48 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.878 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 72.1 Cg_endo -85.15 145.28 9.7 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.703 2.268 . . . . 0.0 111.657 177.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 12.1 Cg_exo -71.86 43.32 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.841 2.361 . . . . 0.0 112.467 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -132.07 -0.95 3.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.65 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.669 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 10.8 m -71.67 117.34 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 121.469 0.652 . . . . 0.0 111.457 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.6 m -97.41 142.35 29.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.629 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -95.19 106.75 18.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.65 0.262 . . . . 0.0 110.699 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 9.3 mt -97.6 126.51 42.94 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' NH2' ' HB3' ' A' ' 43' ' ' GLU . 37.4 ttt180 -91.51 107.17 19.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.031 0.443 . . . . 0.0 110.222 175.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -93.57 128.09 45.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.892 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.83 108.64 10.0 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.507 HG23 ' HD2' ' A' ' 15' ' ' PRO . 69.4 mt -64.38 140.12 97.88 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.465 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 14' ' ' ILE . 16.9 Cg_exo -58.23 146.95 86.72 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.707 2.271 . . . . 0.0 110.544 175.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 -23.49 66.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.555 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.07 -37.86 17.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.021 0.438 . . . . 0.0 110.535 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.95 137.53 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.581 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.84 142.71 27.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.422 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -73.98 91.98 2.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.673 173.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -148.23 178.64 8.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.192 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.65 -28.97 70.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.203 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -58.8 -38.77 79.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.158 0.504 . . . . 0.0 110.532 176.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 tt -61.81 -43.56 98.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.449 0.643 . . . . 0.0 109.585 174.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 78.5 tttt -61.55 -52.89 62.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.56 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.3 m -63.86 -35.38 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -70.28 -38.06 74.99 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.273 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 33.7 mt -74.68 -29.72 61.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.036 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD11 ' HE2' ' A' ' 25' ' ' LYS . 20.0 mt -63.2 -8.51 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.69 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 24.1 mt-10 -104.08 19.99 19.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.704 0.287 . . . . 0.0 110.931 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.591 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 23.7 m -95.58 143.62 26.72 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -68.89 116.26 9.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.855 0.36 . . . . 0.0 110.893 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 107.43 9.46 29.15 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.328 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.591 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 29.8 m -86.06 159.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.296 0.57 . . . . 0.0 111.215 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -134.64 -35.86 0.87 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.982 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -168.89 140.51 2.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.703 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.62 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 95.3 t -122.51 129.73 75.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.065 0.46 . . . . 0.0 110.557 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.499 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.2 mp -109.03 141.04 41.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.931 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -102.69 132.73 48.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.117 0.484 . . . . 0.0 110.201 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.41 84.08 2.16 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.28 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.0 -43.4 81.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.143 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.75 -27.01 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.037 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.491 ' HB3' ' NH2' ' A' ' 11' ' ' ARG . 70.9 mm-40 -94.69 -12.21 27.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.295 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.432 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 17.3 t60 52.79 41.69 31.7 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.006 -169.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.439 ' HA ' HG13 ' A' ' 14' ' ' ILE . 21.2 m -138.55 167.72 21.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.373 -177.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -120.81 147.52 45.24 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 79.7 m-85 -113.57 104.1 11.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.386 0.612 . . . . 0.0 109.847 171.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.3 t -95.24 119.87 43.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.142 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -80.66 109.59 15.33 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.203 174.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.669 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.5 pt -105.2 160.48 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 CA-C-O 121.877 0.846 . . . . 0.0 112.478 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.469 ' HB3' HG12 ' A' ' 54' ' ' VAL . 9.9 t70 -92.22 92.71 8.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.23 173.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.2 p -66.87 -4.54 9.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.818 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -87.42 -26.64 23.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.731 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.469 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.6 p -104.15 -28.73 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.136 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.483 HG21 ' HA3' ' A' ' 33' ' ' GLY . 10.0 t -143.55 172.05 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.84 0.352 . . . . 0.0 111.038 -174.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.57 ' O ' HG12 ' A' ' 60' ' ' VAL . 22.4 m-80 -119.48 160.23 22.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 19.1 ttm180 -46.13 -54.13 9.16 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -70.46 -38.64 74.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.841 0.353 . . . . 0.0 111.342 -166.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.24 -47.25 62.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.221 0.534 . . . . 0.0 110.775 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 56' ' ' ASN . 14.5 p -71.66 -35.37 55.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.058 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.4 tm-20 -56.81 -43.67 81.22 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 48.9 tt0 -55.15 -46.46 75.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.139 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.86 96.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.976 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -61.32 -48.02 90.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.659 178.732 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -64.07 -34.31 77.75 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.302 -178.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 97.6 mt-30 -67.42 -28.13 67.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.815 0.341 . . . . 0.0 111.601 176.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.85 -21.08 61.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.392 0.615 . . . . 0.0 109.996 174.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.479 HD13 ' HD3' ' A' ' 15' ' ' PRO . 45.5 mt -92.78 -37.16 12.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.381 175.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.417 178.836 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 80.47 -80.25 1.67 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.929 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -105.34 91.66 3.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.199 0.523 . . . . 0.0 110.539 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -127.89 77.02 76.97 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.648 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.0 Cg_exo -80.74 147.46 17.25 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.18 2.586 . . . . 0.0 112.109 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 2.7 Cg_exo -76.62 9.18 2.7 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.537 2.158 . . . . 0.0 112.51 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -101.63 4.87 41.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 24.0 m -73.16 143.08 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.699 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.478 ' HB2' HG12 ' A' ' 50' ' ' ILE . 23.5 m -114.09 120.22 39.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 166.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -87.46 110.1 20.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.905 0.383 . . . . 0.0 110.447 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.2 mt -91.41 129.78 37.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.326 -177.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 11.0 ttp180 -89.77 102.86 15.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -91.9 128.9 43.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.974 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.91 112.34 17.11 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.462 HG23 ' HD2' ' A' ' 15' ' ' PRO . 84.9 mt -74.06 137.94 75.9 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.903 -176.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 14' ' ' ILE . 15.1 Cg_exo -60.5 136.75 69.51 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.708 2.272 . . . . 0.0 110.469 175.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.89 68.49 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.66 -29.37 45.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.146 0.498 . . . . 0.0 110.193 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.439 HD13 ' HB2' ' A' ' 15' ' ' PRO . 1.4 mp -81.54 139.96 17.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.851 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.52 143.43 26.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.115 0.483 . . . . 0.0 111.173 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -86.44 89.54 7.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.947 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -145.68 -173.02 4.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.14 -28.32 67.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.407 0.146 . . . . 0.0 111.025 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.92 80.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.338 0.589 . . . . 0.0 110.136 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 8.8 tt -64.4 -44.12 92.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.46 174.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.64 ' HE2' HD11 ' A' ' 29' ' ' LEU . 76.0 tttt -59.19 -53.72 55.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.485 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.94 -33.09 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 8.3 ptp180 -70.59 -37.45 73.92 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.064 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' O ' HG11 ' A' ' 34' ' ' VAL . 85.6 mt -76.91 -29.03 55.54 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.508 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.64 HD11 ' HE2' ' A' ' 25' ' ' LYS . 23.5 mt -61.84 -4.32 1.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.558 174.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -104.07 16.66 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.033 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.607 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 18.8 m -94.53 144.32 25.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.92 0.39 . . . . 0.0 110.343 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -61.27 101.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.091 -174.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.16 13.46 19.43 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.166 -0.54 . . . . 0.0 113.252 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.607 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.1 m -79.8 147.95 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 117.105 0.453 . . . . 0.0 111.551 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -121.11 -35.54 3.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.378 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -163.63 146.33 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.951 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.454 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 71.9 t -129.76 119.55 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tt -113.87 131.3 56.32 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.3 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.486 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.7 mp -90.17 125.28 43.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.961 0.41 . . . . 0.0 110.829 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.42 88.86 2.83 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -38.5 88.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.622 -170.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.06 -21.59 66.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.024 0.44 . . . . 0.0 111.058 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -101.85 -11.15 19.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.658 0.742 . . . . 0.0 109.973 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.0 t60 50.63 40.55 24.15 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.484 -170.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.7 m -136.32 164.91 27.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.136 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -118.23 152.43 35.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.605 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 71.7 m-85 -115.31 103.92 11.3 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 171.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -101.22 113.71 38.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.265 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HD3' HG21 ' A' ' 7' ' ' VAL . 91.7 mttt -83.94 122.07 28.23 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.837 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 7.7 pt -105.29 152.7 7.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.482 -176.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.523 ' HB3' HG12 ' A' ' 54' ' ' VAL . 25.4 t70 -83.21 102.09 11.67 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 168.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -65.21 -6.27 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.061 -173.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -86.87 -46.1 10.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.666 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 51' ' ' ASP . 9.8 p -84.16 -29.12 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.463 -177.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 t -141.13 175.05 9.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.978 0.418 . . . . 0.0 111.099 -175.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.442 ' O ' HG12 ' A' ' 60' ' ' VAL . 96.1 m-20 -126.58 154.94 43.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.741 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 32.7 ttp180 -46.73 -53.8 11.03 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -70.24 -39.45 75.02 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.379 -0.529 . . . . 0.0 111.073 -169.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.3 -50.68 59.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.061 0.458 . . . . 0.0 111.222 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.49 ' O ' HD12 ' A' ' 64' ' ' ILE . 11.4 p -67.76 -37.51 78.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.083 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.685 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 1.5 tm-20 -55.3 -44.21 75.54 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.806 174.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.607 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 3.3 tp-100 -57.02 -46.24 82.49 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.074 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.25 96.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.635 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.5 OUTLIER -59.15 -49.08 84.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.536 178.839 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 7.6 ppt_? -60.67 -39.68 89.3 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.921 -178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.436 ' N ' ' HD2' ' A' ' 65' ' ' ARG . 97.1 mt-30 -63.87 -28.7 70.02 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.989 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.37 -22.13 61.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.187 0.518 . . . . 0.0 110.416 175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.5 mt -91.9 -32.73 15.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.457 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.57 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.105 0.479 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -146.76 -84.74 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.694 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -141.64 28.01 1.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.775 0.321 . . . . 0.0 110.499 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.82 146.62 60.29 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.212 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 15.1 Cg_exo -68.27 152.9 75.48 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.9 2.4 . . . . 0.0 111.884 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 7.6 Cg_exo -72.47 13.24 0.57 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.954 2.436 . . . . 0.0 112.598 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.04 5.33 30.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.045 0.45 . . . . 0.0 110.135 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 27.1 m -79.22 145.96 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.375 177.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -134.51 119.05 18.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 p -82.94 111.17 18.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.084 0.469 . . . . 0.0 111.126 -175.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.572 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.5 mt -86.0 131.26 34.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.801 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 32.6 ttp180 -89.0 103.96 16.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 10' ' ' LEU . 3.9 mm -90.58 120.58 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.056 -177.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.99 108.57 10.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.277 0.56 . . . . 0.0 109.725 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' A' ' 15' ' ' PRO . 82.0 mt -72.67 140.94 81.88 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.619 -171.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 14' ' ' ILE . 24.3 Cg_exo -58.86 156.05 35.12 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.988 2.459 . . . . 0.0 111.789 174.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.01 -29.4 64.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.59 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -85.11 -39.35 18.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.02 135.7 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.564 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 133.25 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.998 0.427 . . . . 0.0 111.439 -177.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -71.57 83.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 171.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -145.1 178.5 8.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 -168.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.56 -28.06 69.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.88 0.371 . . . . 0.0 110.031 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.11 -41.51 83.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.355 0.598 . . . . 0.0 110.25 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.9 tt -63.01 -42.12 99.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.653 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.6 tttt -60.25 -53.1 61.75 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.371 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.8 m -65.1 -34.53 71.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -173.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -71.44 -36.33 71.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.749 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.0 mt -74.41 -29.82 61.67 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.585 0.231 . . . . 0.0 110.816 177.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.518 HD11 ' HE2' ' A' ' 25' ' ' LYS . 22.1 mt -65.63 -5.1 7.36 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.593 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 44.7 mt-10 -99.2 13.8 31.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 111.038 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.607 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 13.5 m -95.55 143.93 26.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -176.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -71.51 119.2 15.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.084 -0.385 . . . . 0.0 110.878 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.493 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 104.68 9.52 35.07 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.388 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.607 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.0 m -83.72 141.62 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.147 0.499 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 32.5 mmmt -117.46 -31.33 5.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.395 174.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -170.21 146.71 3.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.356 -175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.494 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 83.7 t -129.59 114.01 29.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.032 0.444 . . . . 0.0 110.045 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 6.8 tt -105.31 132.19 51.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.943 -178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -95.98 128.57 47.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.992 0.425 . . . . 0.0 110.257 176.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.18 87.19 2.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.588 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.504 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 39.8 mt-10 -61.24 -33.21 73.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.097 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.84 -29.61 70.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.556 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -95.81 -7.39 37.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.361 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.2 t60 53.26 34.7 18.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 122.019 0.914 . . . . 0.0 109.24 -171.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.425 ' HA ' HG13 ' A' ' 14' ' ' ILE . 15.7 m -143.28 159.57 42.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.922 -175.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -107.13 157.97 17.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.009 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.572 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 96.6 m-85 -121.89 103.36 8.79 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 171.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 37' ' ' VAL . 48.1 t -100.91 111.62 31.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.08 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 85.0 mttt -78.68 121.24 24.45 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.636 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 46.7 pt -103.82 156.42 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 CA-C-O 121.703 0.763 . . . . 0.0 111.096 -177.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.599 ' HB3' HG12 ' A' ' 54' ' ' VAL . 16.0 t70 -89.47 98.77 11.95 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.905 -1.498 . . . . 0.0 108.622 175.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 m -66.06 -6.72 13.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.925 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -88.08 -16.16 34.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.599 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.3 p -119.14 -33.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.493 HG21 ' HA3' ' A' ' 33' ' ' GLY . 12.2 t -134.65 -176.93 4.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.316 0.579 . . . . 0.0 112.11 -172.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.523 ' O ' HG12 ' A' ' 60' ' ' VAL . 29.9 t30 -138.97 142.48 38.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.136 -174.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 25.5 ttp180 -47.07 -54.83 9.47 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -172.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -64.57 -43.1 94.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.947 0.403 . . . . 0.0 110.968 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.16 -50.28 64.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.245 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.539 HG11 HG21 ' A' ' 50' ' ' ILE . 14.4 p -70.02 -33.58 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.382 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.638 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 7.3 tm-20 -55.87 -43.48 77.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.141 0.576 . . . . 0.0 109.81 174.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -58.56 -43.62 89.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.624 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.56 90.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.493 HG23 HD22 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -61.08 -41.31 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.28 174.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.62 -42.11 74.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.699 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -59.76 -35.09 73.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.031 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.18 -29.58 69.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.221 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.47 -26.75 30.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.81 0.338 . . . . 0.0 110.709 175.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.02 178.326 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.66 0.267 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -83.5 64.97 4.21 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.188 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -96.16 165.54 12.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -83.07 132.68 49.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.509 ' O ' HG22 ' A' ' 7' ' ' VAL . 16.2 Cg_exo -66.33 138.81 52.31 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.527 2.152 . . . . 0.0 111.93 -177.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 8.4 Cg_exo -71.69 15.9 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.922 2.415 . . . . 0.0 112.527 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.415 ' CD1' ' HD3' ' A' ' 53' ' ' LYS . 36.5 m-85 -105.72 -2.6 23.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.181 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 4' ' ' PRO . 6.4 m -66.74 130.79 32.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.288 0.566 . . . . 0.0 111.766 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -124.7 120.74 32.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.466 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 m -89.76 111.17 22.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.069 0.462 . . . . 0.0 110.542 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.8 mt -88.05 131.57 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.289 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 53.1 ttp180 -93.78 107.36 19.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.032 0.444 . . . . 0.0 109.908 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -96.14 132.24 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.446 -176.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -79.82 108.84 13.7 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' A' ' 15' ' ' PRO . 83.7 mt -78.43 139.93 59.92 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.309 -175.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 14' ' ' ILE . 11.7 Cg_exo -57.72 134.65 64.29 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.373 2.048 . . . . 0.0 110.278 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.4 -25.58 66.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.665 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -80.91 -31.7 35.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.767 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.98 133.73 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.064 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.38 142.37 31.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.056 0.455 . . . . 0.0 111.186 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.34 90.22 7.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.872 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -141.74 -173.72 3.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -174.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.42 -30.0 71.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.565 0.222 . . . . 0.0 111.006 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.81 96.72 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.145 0.498 . . . . 0.0 110.315 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.4 tt -60.65 -44.72 96.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.772 174.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.604 ' HE2' HD11 ' A' ' 29' ' ' LEU . 82.3 tttt -58.07 -53.23 60.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.539 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.48 -36.56 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -173.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 27' ' ' ARG . 6.5 ptp180 -68.56 -35.34 77.27 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.449 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.586 ' O ' HG11 ' A' ' 34' ' ' VAL . 32.1 mt -76.12 -30.66 58.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.692 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD11 ' HE2' ' A' ' 25' ' ' LYS . 16.1 mt -63.77 -12.22 33.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.448 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -93.7 10.97 30.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.83 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.579 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 21.1 m -89.83 141.56 28.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.038 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.4 110.71 3.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.958 0.409 . . . . 0.0 111.168 -175.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 109.77 6.6 28.39 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.636 178.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.586 HG11 ' O ' ' A' ' 28' ' ' LEU . 33.2 m -78.38 144.64 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.998 0.427 . . . . 0.0 110.851 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -114.77 -34.37 5.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.237 173.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -169.53 140.89 2.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.925 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 25' ' ' LYS . 90.1 t -118.92 121.34 66.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.179 0.514 . . . . 0.0 110.598 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 6.7 mp -105.51 140.41 38.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.955 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.6 mp -103.98 131.29 53.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.074 174.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.26 85.5 2.24 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 170.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -62.07 -42.44 99.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.71 -169.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -66.19 -28.61 68.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.695 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.66 -15.46 30.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.039 0.447 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.441 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 4.1 t60 60.9 39.17 17.12 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.357 -174.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.4 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.4 t -139.02 160.52 39.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.965 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -120.0 149.77 41.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.075 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.575 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 90.3 m-85 -116.56 103.7 10.67 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 172.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.474 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 61.5 t -97.86 109.26 23.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.424 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HG2' ' HB ' ' A' ' 7' ' ' VAL . 15.7 ttmm -80.08 116.5 20.23 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.452 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.622 HG21 HG11 ' A' ' 60' ' ' VAL . 5.5 pt -106.05 169.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.697 0.76 . . . . 0.0 112.386 -176.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.539 ' HB3' HG12 ' A' ' 54' ' ' VAL . 11.5 t70 -99.21 96.76 7.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.355 172.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.609 ' HA ' ' O ' ' A' ' 55' ' ' THR . 60.7 p -66.44 -6.31 14.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -172.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 2.1 mmmp? -80.95 -43.13 20.19 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.8 p -86.33 -31.35 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.609 ' O ' ' HA ' ' A' ' 52' ' ' SER . 12.7 t -147.51 154.95 41.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.504 0.192 . . . . 0.0 110.632 -174.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.585 ' O ' HG12 ' A' ' 60' ' ' VAL . 29.5 m-80 -105.3 161.23 14.47 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG3' HD13 ' A' ' 10' ' ' LEU . 48.5 ttp180 -46.68 -52.51 13.64 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -52.06 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.464 -167.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 11.5 pt-20 -58.29 -46.92 85.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.187 0.517 . . . . 0.0 111.195 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.622 HG11 HG21 ' A' ' 50' ' ' ILE . 12.4 p -74.04 -35.35 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.496 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -45.36 78.23 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.26 0.624 . . . . 0.0 109.846 173.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 61.3 tt0 -55.02 -48.83 72.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.321 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.88 90.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.249 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -62.03 -49.47 83.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.462 178.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -66.15 -35.24 79.96 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.263 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 99.0 mt-30 -64.79 -27.86 69.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.911 0.386 . . . . 0.0 111.443 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.24 -21.36 62.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.3 mt -93.16 -32.31 14.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.436 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.417 -178.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 69.5 mtm . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.923 0.392 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -81.24 59.6 4.77 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.246 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -82.07 58.88 4.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.373 0.606 . . . . 0.0 110.377 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.91 113.74 54.85 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.106 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.504 ' O ' HG22 ' A' ' 7' ' ' VAL . 24.6 Cg_exo -65.18 157.54 56.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.584 2.189 . . . . 0.0 111.476 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -80.05 8.1 4.27 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.68 2.254 . . . . 0.0 111.437 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -92.91 -13.62 28.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.607 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.704 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 34.7 m -80.36 150.63 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-O 121.394 0.616 . . . . 0.0 112.226 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 21.4 t -133.95 125.72 28.83 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -87.62 108.45 19.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.217 0.532 . . . . 0.0 110.977 -175.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.4 mt -95.17 129.41 42.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.063 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 11' ' ' ARG . 41.8 ttm180 -95.22 109.26 21.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.749 0.309 . . . . 0.0 110.192 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -103.74 138.27 28.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.578 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -77.87 118.08 19.85 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' A' ' 45' ' ' SER . 97.3 mt -80.91 136.56 50.75 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.776 0.322 . . . . 0.0 111.274 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.436 ' HD3' HD13 ' A' ' 68' ' ' LEU . 12.4 Cg_exo -63.26 151.01 86.98 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.892 2.395 . . . . 0.0 111.384 176.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.62 -24.53 56.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.061 0.457 . . . . 0.0 110.819 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.04 -29.37 31.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.781 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -86.4 131.98 33.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.86 131.08 38.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.159 0.505 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.64 91.38 6.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.45 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -164.61 -166.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.69 -29.51 53.22 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.615 0.245 . . . . 0.0 111.488 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.09 93.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.13 0.49 . . . . 0.0 110.887 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.3 tt -66.44 -38.74 88.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.482 0.658 . . . . 0.0 109.538 175.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 79.7 tttt -60.0 -53.12 61.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.983 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.13 -35.83 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -174.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 10.8 ptp180 -67.15 -39.82 86.6 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.426 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' HB2' HG21 ' A' ' 37' ' ' VAL . 36.2 mt -76.07 -29.75 58.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.253 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.515 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.6 mt -59.21 -21.61 59.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.605 0.24 . . . . 0.0 111.462 176.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.06 14.68 5.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.393 . . . . 0.0 111.502 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.9 m -98.65 136.91 38.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.15 117.24 6.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.785 -173.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.63 3.21 43.44 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.529 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.52 130.23 36.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 117.172 0.486 . . . . 0.0 111.122 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -96.25 -41.23 8.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.055 175.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -165.63 140.73 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.328 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.534 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 58.9 t -114.89 122.25 68.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.483 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 8.6 mp -103.38 140.36 37.55 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.789 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.93 127.31 64.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 173.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.69 91.65 3.64 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.668 173.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -17.94 63.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.824 0.345 . . . . 0.0 110.692 -177.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.84 -40.03 91.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.467 0.651 . . . . 0.0 109.79 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -103.82 -3.56 24.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.546 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.9 t60 51.2 42.28 28.66 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.62 -172.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.436 ' HA ' HG13 ' A' ' 14' ' ' ILE . 19.8 m -139.4 158.56 43.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.849 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.65 140.45 40.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.496 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 67.4 m-85 -106.88 102.79 12.13 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 169.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG13 HG22 ' A' ' 37' ' ' VAL . 28.6 t -96.54 112.11 28.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.951 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 8' ' ' SER . 63.0 mttm -84.09 116.91 23.11 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.736 HG21 HG11 ' A' ' 60' ' ' VAL . 33.7 pt -104.51 166.26 3.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.365 0.602 . . . . 0.0 111.15 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.515 ' HB3' HG12 ' A' ' 54' ' ' VAL . 14.1 t70 -92.39 102.98 15.46 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.635 174.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 m -69.24 -1.89 9.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.926 -172.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 5.3 mmpt? -89.08 -34.6 16.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.653 0.264 . . . . 0.0 110.887 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG12 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -96.08 -32.91 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.652 -177.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 t -141.84 169.58 17.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.669 0.271 . . . . 0.0 110.849 -173.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.532 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -121.04 154.79 35.61 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.726 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 23.5 ttp180 -46.97 -54.41 10.18 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -175.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.94 -42.07 97.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.709 0.231 . . . . 0.0 111.403 -168.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 11.5 pt-20 -69.54 -45.67 68.26 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.386 0.613 . . . . 0.0 110.938 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.736 HG11 HG21 ' A' ' 50' ' ' ILE . 13.9 p -73.42 -33.91 41.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.023 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 1.9 tm-20 -56.26 -44.41 79.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.865 174.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 36.2 tt0 -55.9 -47.85 76.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.338 174.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.51 80.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.374 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -65.08 -47.68 86.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.469 178.343 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -63.5 -34.78 78.53 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.224 -179.031 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.429 ' HG3' ' HD3' ' A' ' 65' ' ' ARG . 54.1 mt-30 -65.43 -34.17 77.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.598 176.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.63 64.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.0 0.428 . . . . 0.0 110.191 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.436 HD13 ' HD3' ' A' ' 15' ' ' PRO . 62.8 mt -91.0 -24.68 20.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.258 175.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.447 177.484 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.637 0.256 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.86 -55.88 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.08 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.32 -14.09 50.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.236 0.541 . . . . 0.0 110.47 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -92.25 122.61 64.45 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.912 -177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 31.5 Cg_exo -60.2 144.41 99.49 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.408 2.072 . . . . 0.0 111.808 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 5.8 Cg_exo -77.15 23.94 0.51 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.97 2.447 . . . . 0.0 112.919 -177.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -127.07 7.3 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.845 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.593 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 26.7 m -79.99 124.9 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 121.478 0.656 . . . . 0.0 112.105 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' HG12 ' A' ' 50' ' ' ILE . 5.0 m -109.72 122.65 47.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 p -88.01 98.3 11.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.856 0.36 . . . . 0.0 111.123 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 11.2 mt -79.03 125.95 30.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.973 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -82.75 98.88 9.32 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 174.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 10' ' ' LEU . 8.8 mm -89.95 133.57 31.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.182 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.59 119.24 20.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.152 0.501 . . . . 0.0 110.361 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 15' ' ' PRO . 57.2 mt -73.03 139.64 79.83 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.581 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD3' HD13 ' A' ' 68' ' ' LEU . 23.5 Cg_exo -58.24 158.05 23.68 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.901 2.4 . . . . 0.0 111.557 174.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.26 90.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.63 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -87.17 -20.22 27.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.195 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mp -82.35 138.52 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.696 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.52 145.89 24.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.037 0.446 . . . . 0.0 111.149 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.71 90.99 4.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.753 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -161.27 -176.7 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.049 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 43.8 tt0 -58.32 -28.13 64.77 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -175.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.77 81.14 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.118 0.485 . . . . 0.0 110.684 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.6 tt -64.52 -40.79 96.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.437 175.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HE2' HD11 ' A' ' 29' ' ' LEU . 77.9 tttt -59.66 -53.13 61.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.191 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.17 -33.12 61.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HD2' HD23 ' A' ' 68' ' ' LEU . 13.0 ptp180 -74.54 -35.0 63.1 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.841 178.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.9 mt -75.5 -28.74 59.29 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.277 -0.264 . . . . 0.0 110.906 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD11 ' HE2' ' A' ' 25' ' ' LYS . 23.0 mt -62.33 -10.49 11.3 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.72 0.295 . . . . 0.0 111.568 175.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 27' ' ' ARG . 35.5 mt-10 -90.93 19.76 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.161 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.719 ' O ' HG22 ' A' ' 34' ' ' VAL . 19.7 m -106.74 143.95 34.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.67 0.272 . . . . 0.0 110.935 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.95 112.39 4.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.637 0.256 . . . . 0.0 110.459 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.48 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 110.28 -2.67 29.67 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.315 176.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 31' ' ' THR . 22.5 m -79.49 132.33 32.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 117.416 0.608 . . . . 0.0 111.21 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 66.1 mmtt -103.84 -34.94 8.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.319 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -168.32 140.69 2.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.391 -174.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.537 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 60.3 t -119.77 121.42 66.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.134 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 tt -110.78 114.41 27.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.276 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.22 131.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.188 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.66 84.32 2.04 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.52 -41.93 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.715 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.99 -39.64 78.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 111.396 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.48 -1.74 57.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.403 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 22.1 t60 52.58 39.4 28.05 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 122.02 0.914 . . . . 0.0 108.813 -171.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.6 m -134.12 175.04 9.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.844 -176.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -145.91 127.86 15.48 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 33.6 m-85 -87.61 104.78 16.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.405 0.621 . . . . 0.0 110.614 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.443 HG22 HG13 ' A' ' 37' ' ' VAL . 60.7 t -94.49 114.79 31.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.071 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 92.5 mttt -81.09 122.0 26.8 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.869 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 1.3 pt -104.14 147.44 10.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.603 -175.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.491 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 21.7 t70 -85.41 99.51 11.24 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.596 171.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 m -67.29 0.8 2.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.967 -174.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 3.2 mmmp? -88.47 -43.93 11.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.702 0.287 . . . . 0.0 110.476 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 51' ' ' ASP . 9.7 p -93.32 -26.83 4.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.685 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.506 ' OG1' ' HB ' ' A' ' 60' ' ' VAL . 14.8 t -142.63 169.04 18.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.733 0.301 . . . . 0.0 110.986 -174.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.479 ' O ' HG12 ' A' ' 60' ' ' VAL . 29.6 m-80 -123.68 163.75 20.47 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.678 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 12.2 ttm180 -46.53 -52.37 13.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.747 0.654 . . . . 0.0 112.577 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -70.4 -48.2 57.26 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.47 -167.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.47 -43.3 90.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.08 0.467 . . . . 0.0 111.13 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.545 ' O ' HD12 ' A' ' 64' ' ' ILE . 7.3 p -69.89 -38.79 76.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.985 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.678 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 2.6 tm-20 -53.23 -44.72 68.29 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.271 0.629 . . . . 0.0 109.593 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 47.1 tt0 -55.81 -49.15 74.02 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.2 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.84 78.97 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.056 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.76 -49.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.332 177.775 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.495 ' HD3' ' HG3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -64.65 -31.97 73.43 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.64 -179.065 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.495 ' HG3' ' HD3' ' A' ' 65' ' ' ARG . 29.4 mt-30 -65.65 -33.17 75.28 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.659 0.266 . . . . 0.0 111.418 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.4 65.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.091 0.472 . . . . 0.0 110.663 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 ' HD2' ' A' ' 27' ' ' ARG . 38.1 mt -98.68 -23.47 15.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.801 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.011 -177.582 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.711 0.291 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 157.91 -97.95 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.816 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -76.91 79.12 3.48 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.454 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 30.5 tt0 -134.06 133.95 22.51 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.525 -167.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.9 Cg_exo -67.39 138.21 45.64 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.531 2.154 . . . . 0.0 111.462 176.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 1.8 Cg_endo -78.28 29.74 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.609 2.206 . . . . 0.0 112.969 -175.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -131.51 2.31 4.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.986 0.422 . . . . 0.0 110.303 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.641 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 30.4 m -87.93 164.62 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.496 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.424 ' HB2' HG12 ' A' ' 50' ' ' ILE . 13.3 m -135.39 117.56 15.49 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 167.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -82.44 98.98 9.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.857 0.361 . . . . 0.0 110.984 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.606 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.0 mt -87.82 137.18 32.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.814 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -103.48 101.52 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.9 0.381 . . . . 0.0 110.088 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -91.43 138.16 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.951 -178.538 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.59 108.77 16.22 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.452 HG23 ' HD2' ' A' ' 15' ' ' PRO . 79.5 mt -66.65 140.05 96.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.78 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 14' ' ' ILE . 13.6 Cg_exo -62.12 150.44 86.65 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.609 2.206 . . . . 0.0 110.754 173.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.67 57.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.872 0.368 . . . . 0.0 111.283 -177.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.77 -30.59 20.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.419 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -80.49 134.17 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.934 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.65 138.73 41.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.251 0.548 . . . . 0.0 111.473 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.53 92.73 9.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.878 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -159.79 -174.56 4.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.811 -176.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 45.0 tt0 -59.28 -28.73 67.01 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.608 0.242 . . . . 0.0 111.261 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.45 85.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.073 0.463 . . . . 0.0 110.606 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.46 -39.73 94.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.299 0.571 . . . . 0.0 109.657 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.638 ' HE2' HD11 ' A' ' 29' ' ' LEU . 78.3 tttt -61.21 -53.43 56.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.0 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 m -64.88 -32.34 57.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.008 -174.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 8.7 ptp180 -71.21 -37.76 72.07 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.3 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 85.2 mt -77.12 -28.55 54.42 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.629 0.252 . . . . 0.0 111.139 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.638 HD11 ' HE2' ' A' ' 25' ' ' LYS . 25.7 mt -63.2 -4.71 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.506 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.68 19.38 12.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.625 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.614 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 15.1 m -98.23 143.65 28.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.69 115.71 11.2 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.077 0.465 . . . . 0.0 109.899 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 102.34 21.86 10.33 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.611 177.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.614 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 31.2 m -88.2 144.43 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.192 0.52 . . . . 0.0 111.433 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -114.89 -44.5 3.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.684 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.564 ' OE2' ' HE3' ' A' ' 25' ' ' LYS . 9.9 tp10 -161.21 146.92 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.037 -174.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.546 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 67.5 t -127.78 112.3 27.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 177.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 10.5 tt -106.45 121.64 44.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.61 121.61 37.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.014 0.435 . . . . 0.0 109.903 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.62 94.77 5.0 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.312 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -22.07 62.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.957 0.408 . . . . 0.0 110.908 -176.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.53 -18.67 65.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.128 0.49 . . . . 0.0 110.294 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -111.32 -12.03 14.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.136 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.417 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 42.7 t60 48.66 41.95 18.57 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.74 -165.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -135.81 160.76 37.56 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.163 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -112.58 122.49 47.84 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.322 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 41.7 m-85 -89.06 101.72 14.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.558 0.694 . . . . 0.0 109.133 171.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.497 HG13 HG22 ' A' ' 37' ' ' VAL . 27.4 t -100.46 109.8 25.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.509 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 84.3 mttt -84.94 118.3 24.46 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.702 HG21 HG11 ' A' ' 60' ' ' VAL . 45.5 pt -104.22 169.01 2.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.761 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 53' ' ' LYS . 15.4 t70 -97.95 103.8 15.77 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.244 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.9 t -66.05 -12.82 57.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.724 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.544 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 12.3 mmmm -76.57 -39.89 51.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.99 0.424 . . . . 0.0 110.582 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 51' ' ' ASP . 10.3 p -99.81 -28.37 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.413 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 14.5 t -141.85 177.92 7.86 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.028 0.442 . . . . 0.0 111.74 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.504 ' O ' HG12 ' A' ' 60' ' ' VAL . 55.8 t30 -132.28 146.35 51.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.841 -176.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.602 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 41.0 ttp180 -46.4 -55.19 7.73 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -172.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -66.75 -41.74 87.31 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.793 -172.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.4 -52.62 62.87 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.562 0.696 . . . . 0.0 110.723 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.702 HG11 HG21 ' A' ' 50' ' ' ILE . 12.8 p -69.91 -35.21 63.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.75 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.602 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.2 tm-20 -53.86 -45.59 71.01 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.14 0.576 . . . . 0.0 109.888 174.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 62.3 tt0 -59.42 -43.04 93.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.234 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.02 96.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.134 0.492 . . . . 0.0 110.765 175.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -60.56 -49.36 84.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.695 178.423 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -61.4 -36.08 79.31 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.332 -178.54 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.516 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 28.5 mt-30 -62.08 -35.0 77.34 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -21.75 66.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.889 0.376 . . . . 0.0 110.955 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.4 mt -98.75 -24.44 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.966 -175.729 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 175.51 -42.11 0.11 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.599 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.9 104.7 8.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.027 0.441 . . . . 0.0 111.114 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -129.76 91.95 38.82 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' TYR . 18.4 Cg_endo -62.77 154.68 64.31 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.627 2.218 . . . . 0.0 112.319 -176.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -71.95 25.07 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.289 2.659 . . . . 0.0 112.947 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.418 ' H ' ' C ' ' A' ' 4' ' ' PRO . 31.9 m-85 -125.65 5.28 7.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.958 0.409 . . . . 0.0 110.006 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.68 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 19.6 m -75.57 139.94 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-O 121.498 0.666 . . . . 0.0 111.957 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 t -130.2 127.34 39.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -87.26 114.7 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.533 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.3 mt -94.23 134.22 36.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.64 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 11' ' ' ARG . 43.0 ttm180 -97.22 100.22 11.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 mm -90.93 127.09 43.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.336 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.04 118.26 18.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.27 0.557 . . . . 0.0 109.724 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.456 HG23 ' HD2' ' A' ' 15' ' ' PRO . 75.8 mt -87.68 140.54 31.56 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.169 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.469 ' HD3' HD13 ' A' ' 68' ' ' LEU . 13.4 Cg_exo -60.06 141.52 96.46 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.439 2.093 . . . . 0.0 110.638 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.68 -27.02 67.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.988 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -77.68 -40.06 42.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.633 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.45 126.1 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.006 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.43 137.78 46.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.122 0.487 . . . . 0.0 111.257 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.577 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -85.26 99.18 10.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.72 175.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -155.86 -169.61 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.831 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.69 -30.61 70.85 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -40.76 86.57 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.337 0.589 . . . . 0.0 110.73 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.658 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.2 tt -62.04 -45.45 93.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.402 174.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.596 ' HE2' HD11 ' A' ' 29' ' ' LEU . 81.6 tttt -58.06 -53.55 57.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.686 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -66.38 -33.21 61.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 20.6 ptp180 -73.17 -34.86 66.27 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.301 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.2 mt -74.21 -29.85 61.92 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.623 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.596 HD11 ' HE2' ' A' ' 25' ' ' LYS . 19.5 mt -64.62 -8.62 14.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.733 177.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -98.15 11.05 39.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.587 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 7.0 m -93.25 145.3 24.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.196 -0.315 . . . . 0.0 110.177 -175.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.19 117.66 8.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.864 0.364 . . . . 0.0 111.458 -174.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.39 6.46 55.19 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.702 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.613 HG11 ' O ' ' A' ' 28' ' ' LEU . 23.1 m -78.86 138.34 20.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.071 0.463 . . . . 0.0 110.679 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -115.12 -28.77 6.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.209 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 49' ' ' LYS . 9.4 tt0 -169.93 143.38 2.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.196 -175.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 48' ' ' VAL . 86.4 t -127.81 125.18 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.795 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.17 140.56 42.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.501 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.02 127.77 53.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.36 86.82 2.63 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.41 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.577 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.13 -25.7 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.652 -174.027 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.89 -27.03 64.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.025 0.441 . . . . 0.0 110.147 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -98.82 -6.45 29.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.405 0.621 . . . . 0.0 109.672 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.2 t60 47.8 41.34 14.04 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.639 -170.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.408 ' HA ' HG13 ' A' ' 14' ' ' ILE . 42.1 m -141.23 164.09 31.2 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.203 -176.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.81 142.02 39.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.183 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 67.4 m-85 -106.91 103.54 13.0 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 171.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.471 HG13 HG22 ' A' ' 37' ' ' VAL . 26.1 t -98.61 122.61 50.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.893 -175.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 28.1 mmtp -83.33 109.46 17.3 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.641 176.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.68 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 32.4 pt -105.35 161.34 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 CA-C-O 121.503 0.668 . . . . 0.0 111.387 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' HB3' HG12 ' A' ' 54' ' ' VAL . 14.5 t70 -96.37 104.72 16.71 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.613 173.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 m -69.78 -2.33 11.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -172.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -89.13 -41.74 12.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.796 0.332 . . . . 0.0 110.447 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.3 p -91.09 -26.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.763 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 t -137.31 179.45 6.39 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.285 0.564 . . . . 0.0 111.455 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' O ' HG12 ' A' ' 60' ' ' VAL . 49.1 t30 -136.49 145.03 44.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.826 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.595 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 38.3 ttp180 -45.74 -54.31 8.1 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -173.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.94 -42.74 89.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.096 0.407 . . . . 0.0 111.033 -174.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.75 -52.83 63.44 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.521 0.677 . . . . 0.0 110.976 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.566 HG11 HG21 ' A' ' 50' ' ' ILE . 14.4 p -70.85 -35.62 60.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.341 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.595 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 7.5 tm-20 -56.37 -45.81 80.34 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 7.3 tp60 -54.59 -44.86 73.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.193 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.48 92.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.735 0.302 . . . . 0.0 110.948 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.25 -48.77 87.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.71 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.522 ' HD2' ' OE1' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.39 -31.68 72.91 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.342 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 48.2 mt-30 -65.69 -30.5 71.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.741 0.305 . . . . 0.0 111.47 175.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.93 -21.25 66.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.343 0.592 . . . . 0.0 110.184 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.469 HD13 ' HD3' ' A' ' 15' ' ' PRO . 50.4 mt -91.91 -33.52 14.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.38 175.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 66' ' ' GLN . 72.5 mm-40 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.699 -0.667 . . . . 0.0 111.421 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 120.782 0.325 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 86.98 -132.48 11.19 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.57 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -82.47 68.84 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 110.86 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -126.92 142.31 43.18 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.121 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 65.6 Cg_endo -79.56 148.62 20.68 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.61 2.207 . . . . 0.0 111.814 177.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 5.8 Cg_exo -76.16 25.71 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.883 2.389 . . . . 0.0 112.657 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -117.23 10.92 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.141 0.496 . . . . 0.0 110.24 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 20.9 m -80.61 139.9 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.362 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -123.42 120.15 32.13 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -79.96 105.62 11.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.003 0.43 . . . . 0.0 110.977 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.432 HD22 ' HG3' ' A' ' 57' ' ' ARG . 11.1 mt -92.66 129.36 38.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -91.81 107.22 19.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mm -90.58 124.07 43.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -76.73 108.32 9.66 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 15' ' ' PRO . 85.5 mt -78.99 140.2 57.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.412 -171.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HD2' HG23 ' A' ' 14' ' ' ILE . 14.2 Cg_exo -59.9 150.94 75.0 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.694 2.263 . . . . 0.0 110.988 175.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.35 -31.67 64.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.211 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -77.72 -37.16 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.644 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.402 HG21 HD12 ' A' ' 68' ' ' LEU . 1.6 mp -72.83 133.17 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.901 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.23 135.01 35.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.099 0.476 . . . . 0.0 111.112 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.581 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -85.69 91.9 8.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.933 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -152.54 -172.77 4.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.289 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 36.6 tt0 -57.58 -30.27 65.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -62.26 -36.66 82.73 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.168 0.509 . . . . 0.0 110.682 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.4 tt -65.6 -39.1 91.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.637 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.1 tttt -61.67 -52.98 62.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.845 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 23' ' ' ALA . 26.3 m -64.0 -32.9 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -72.66 -38.08 67.75 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.527 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 29.8 mt -73.94 -29.77 62.2 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.482 0.182 . . . . 0.0 111.073 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.637 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.4 mt -64.69 -4.9 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -98.03 5.66 48.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.644 0.259 . . . . 0.0 111.082 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.597 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 21.6 m -85.2 144.71 27.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.774 0.321 . . . . 0.0 110.376 -174.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.98 109.13 2.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.901 0.382 . . . . 0.0 111.454 -176.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 104.08 24.17 7.75 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.597 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 27.2 m -91.53 138.09 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.279 0.561 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -113.12 -36.85 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.994 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -168.23 142.49 3.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.58 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.536 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 94.2 t -129.68 121.72 53.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.08 0.467 . . . . 0.0 110.56 -178.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 11.0 mp -109.37 133.35 53.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.05 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -94.75 128.32 46.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 171.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.43 87.62 2.7 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.554 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 1.3 tm-20 -64.96 -26.92 68.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.874 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.82 -34.03 73.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.704 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -100.07 -7.2 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.857 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.9 t60 50.45 40.34 22.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.644 -169.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.414 ' HA ' HG13 ' A' ' 14' ' ' ILE . 18.4 m -137.73 159.4 42.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.674 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.97 133.54 53.07 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.49 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.442 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 62.0 m-85 -99.99 102.8 14.27 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.351 174.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -101.24 111.79 32.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.046 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -80.3 118.9 22.37 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.703 HG21 HG11 ' A' ' 60' ' ' VAL . 42.7 pt -104.15 168.14 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.756 0 CA-C-O 121.42 0.629 . . . . 0.0 111.599 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.534 ' OD2' ' HB2' ' A' ' 53' ' ' LYS . 33.2 t70 -96.03 104.32 16.26 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.211 -1.359 . . . . 0.0 109.5 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -71.79 3.43 4.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.189 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 11.6 mmmm -88.66 -47.31 8.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.912 0.387 . . . . 0.0 110.568 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -91.31 -35.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.455 HG21 ' HA3' ' A' ' 33' ' ' GLY . 15.2 t -136.18 170.35 16.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.009 0.433 . . . . 0.0 111.58 -170.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.525 ' O ' HG12 ' A' ' 60' ' ' VAL . 19.0 m-80 -118.24 159.19 23.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.486 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.594 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 55.8 ttp180 -47.19 -52.7 15.04 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -175.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -76.28 -39.19 54.9 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.003 -167.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.74 -49.96 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.308 0.575 . . . . 0.0 110.276 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.703 HG11 HG21 ' A' ' 50' ' ' ILE . 13.1 p -71.82 -36.59 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.642 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.594 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 5.1 tm-20 -58.3 -46.74 85.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.874 0.369 . . . . 0.0 110.007 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.93 -39.77 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.384 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.26 93.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.563 176.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.25 -42.56 93.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.009 173.56 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' NE ' ' HG3' ' A' ' 69' ' ' GLU . 1.9 tmt_? -56.73 -42.08 78.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.409 176.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.17 -33.86 74.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.155 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.09 -21.76 64.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.848 0.356 . . . . 0.0 111.21 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD12 HG21 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -91.91 -19.85 22.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.273 173.637 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG3' ' NE ' ' A' ' 65' ' ' ARG . 14.7 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.745 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.77 0.319 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 85.19 -156.17 30.61 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.667 -177.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 61.21 67.65 0.78 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.894 0.378 . . . . 0.0 110.642 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' HB3' HG11 ' A' ' 7' ' ' VAL . 4.2 mp0 -61.51 120.74 58.59 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.033 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 6' ' ' TYR . 34.8 Cg_endo -68.11 158.42 57.51 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.744 2.296 . . . . 0.0 111.679 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.82 26.57 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.092 2.528 . . . . 0.0 112.865 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.437 ' H ' ' C ' ' A' ' 4' ' ' PRO . 89.9 m-85 -123.43 9.5 9.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.118 0.485 . . . . 0.0 109.811 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.7 m -69.31 100.91 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.818 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -82.38 105.04 13.12 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -77.74 109.77 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.998 0.427 . . . . 0.0 110.771 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.664 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 5.6 mt -85.79 157.51 20.22 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -122.15 98.78 6.09 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.2 mm -89.8 133.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.484 -173.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -76.68 110.23 11.09 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.428 ' HB ' ' CD2' ' A' ' 44' ' ' HIS . 63.6 mt -69.44 136.93 88.54 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.316 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.2 Cg_exo -57.64 152.32 49.36 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.632 2.221 . . . . 0.0 111.017 175.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.11 77.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.303 0.573 . . . . 0.0 111.027 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -86.39 -36.94 18.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.006 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.22 132.19 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.79 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.43 142.9 38.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.232 0.539 . . . . 0.0 111.69 -176.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.29 86.9 7.14 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.036 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -155.0 -168.16 2.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.567 -174.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.78 -27.99 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.536 0.208 . . . . 0.0 111.005 -177.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.46 88.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.17 0.51 . . . . 0.0 110.562 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.532 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.2 tt -66.29 -42.4 88.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.63 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HE2' HD11 ' A' ' 29' ' ' LEU . 77.8 tttt -58.49 -53.36 59.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.342 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.3 -32.11 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 -173.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -69.4 -38.9 78.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.116 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 32.4 mt -76.13 -29.58 57.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.965 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.608 HD11 ' HE2' ' A' ' 25' ' ' LYS . 19.4 mt -61.3 -12.63 14.36 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.714 0.293 . . . . 0.0 111.547 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -96.86 12.81 30.86 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.719 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.1 m -95.84 143.09 27.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -63.94 111.76 2.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.889 0.376 . . . . 0.0 111.684 -174.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.478 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 106.36 1.05 37.93 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.205 175.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 31' ' ' THR . 28.4 m -78.33 129.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 117.304 0.552 . . . . 0.0 111.016 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 31.9 mmmt -105.56 -25.31 12.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -169.49 142.22 2.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.041 -172.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 25' ' ' LYS . 50.5 t -131.62 114.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 7.9 tt -113.46 117.09 30.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.49 -175.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.0 123.26 33.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.169 0.509 . . . . 0.0 110.473 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.48 95.79 5.79 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -31.13 65.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.08 -172.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.25 -43.13 99.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.55 -18.1 58.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.761 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 29.9 t60 53.08 41.79 32.17 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -167.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.408 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.9 m -136.68 163.49 30.46 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.478 -175.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.449 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -115.67 125.31 52.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.419 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.664 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 70.7 m-85 -89.28 103.06 15.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.495 0.664 . . . . 0.0 109.342 173.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.465 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 54.9 t -104.86 109.47 27.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.807 -177.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.475 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 90.9 mttt -83.99 118.86 24.31 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.615 HG21 HG11 ' A' ' 60' ' ' VAL . 2.2 pt -105.28 162.4 4.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-O 121.57 0.7 . . . . 0.0 110.858 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.57 ' HB3' HG12 ' A' ' 54' ' ' VAL . 19.7 t70 -93.13 97.55 10.74 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.619 174.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' THR . 37.1 p -68.24 0.79 3.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.879 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 31.4 mmmt -88.81 -36.1 16.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.252 176.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.57 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.5 p -95.49 -30.37 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.011 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.478 HG21 ' HA3' ' A' ' 33' ' ' GLY . 11.3 t -140.69 179.24 6.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 111.021 -175.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.571 ' O ' HG12 ' A' ' 60' ' ' VAL . 54.6 t30 -128.43 143.91 51.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -178.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.79 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 20.5 ttp180 -45.72 -54.44 7.87 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.511 0.507 . . . . 0.0 111.986 -176.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -47.11 87.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.6 0.238 . . . . 0.0 111.367 -173.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.28 -53.58 50.56 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.393 0.616 . . . . 0.0 111.006 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.615 HG11 HG21 ' A' ' 50' ' ' ILE . 14.8 p -69.36 -33.9 59.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.533 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.79 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.8 tm-20 -54.4 -48.28 71.77 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.414 0.686 . . . . 0.0 110.241 176.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.56 -37.54 87.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.476 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.73 88.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.585 175.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.567 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.8 OUTLIER -62.74 -43.56 98.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.209 173.8 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -57.88 -39.46 77.9 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -65.62 -34.2 77.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.342 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.62 -21.79 62.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.457 . . . . 0.0 110.539 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 15' ' ' PRO . 71.1 mt -88.9 -35.74 16.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.193 174.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.561 178.75 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 71.4 mtm . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.754 0.311 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -164.46 144.12 9.12 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.135 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.461 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 64.6 tttp -79.09 -24.28 43.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.17 0.51 . . . . 0.0 109.731 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -90.44 109.08 31.34 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.301 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 2' ' ' LYS . 62.1 Cg_endo -82.94 154.4 14.92 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.659 2.24 . . . . 0.0 111.843 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 4.1 Cg_exo -76.76 36.42 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.084 2.523 . . . . 0.0 113.305 -175.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -133.21 10.29 4.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.092 0.472 . . . . 0.0 110.049 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.0 m -84.41 149.98 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.952 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.463 ' HB3' HG12 ' A' ' 50' ' ' ILE . 36.4 t -133.99 111.06 10.1 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 168.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -77.93 114.93 17.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.921 0.391 . . . . 0.0 110.753 -176.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.654 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.2 mt -82.44 162.71 22.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.761 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -122.69 97.62 5.54 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -90.79 126.4 43.54 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.464 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 8.0 pt-20 -75.64 113.9 13.61 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.516 HG23 ' HD2' ' A' ' 15' ' ' PRO . 91.5 mt -79.69 141.3 55.72 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.737 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 14' ' ' ILE . 17.8 Cg_exo -58.31 143.57 97.16 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.304 2.003 . . . . 0.0 110.855 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -19.63 64.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.11 0.481 . . . . 0.0 110.973 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -83.1 -40.91 19.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.68 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.17 134.93 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.549 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.12 132.9 35.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.12 0.486 . . . . 0.0 110.862 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -81.01 94.68 6.61 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.257 177.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -157.28 -171.1 3.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.706 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 42.0 tt0 -58.22 -30.47 66.52 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.11 89.95 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.232 0.539 . . . . 0.0 110.477 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.1 tt -62.74 -39.96 95.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.617 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.665 ' HE2' HD11 ' A' ' 29' ' ' LEU . 77.0 tttt -60.83 -53.3 58.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.364 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.87 -34.96 73.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -70.65 -38.64 73.85 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.702 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.6 mt -73.62 -30.02 62.72 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.577 0.227 . . . . 0.0 110.934 177.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.665 HD11 ' HE2' ' A' ' 25' ' ' LYS . 23.5 mt -60.47 -23.66 64.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.612 0.244 . . . . 0.0 111.105 175.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -85.56 13.86 6.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.768 0.318 . . . . 0.0 111.475 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.6 m -98.26 135.71 39.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.63 115.95 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.556 -173.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 106.4 -2.9 37.13 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.694 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -78.86 122.41 33.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.839 0.352 . . . . 0.0 111.363 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -94.22 -31.35 14.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.594 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -168.14 146.23 4.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.985 -174.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.553 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 96.0 t -130.0 113.67 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.062 0.458 . . . . 0.0 109.784 178.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 7.2 tt -106.83 119.07 38.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.046 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.412 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.7 mp -80.03 118.55 27.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.078 0.466 . . . . 0.0 110.06 177.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.35 87.93 3.76 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 172.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.64 -33.66 76.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.87 -172.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.23 -23.44 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.046 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -101.18 -13.41 18.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.412 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.1 t60 55.71 39.75 30.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.921 -171.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.403 ' HA ' HG13 ' A' ' 14' ' ' ILE . 28.3 t -142.76 159.92 41.32 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.648 -174.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.63 127.75 55.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.852 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 15.0 m-85 -91.85 103.17 15.75 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.2 t -105.13 111.44 34.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.565 -174.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -79.87 121.78 25.85 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.071 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 26.6 pt -104.69 149.97 7.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.639 -178.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.526 ' HB3' HG12 ' A' ' 54' ' ' VAL . 13.6 t70 -86.3 106.25 17.23 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.692 171.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -68.13 -4.83 15.01 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -173.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -89.18 -39.18 13.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.57 0.224 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 51' ' ' ASP . 12.3 p -92.63 -30.87 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.587 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.459 HG21 ' HA3' ' A' ' 33' ' ' GLY . 11.8 t -139.08 -174.93 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.162 0.506 . . . . 0.0 111.673 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 60' ' ' VAL . 48.8 t30 -141.67 151.18 42.79 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.759 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 4.7 ttp180 -47.48 -55.52 8.91 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -62.12 -41.49 98.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 -173.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -65.44 -53.54 41.48 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.452 0.644 . . . . 0.0 110.953 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.566 ' O ' HD12 ' A' ' 64' ' ' ILE . 14.1 p -69.68 -35.47 65.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.067 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.759 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -54.8 -45.01 74.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.53 0.732 . . . . 0.0 109.911 175.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.619 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 48.8 tt0 -56.77 -48.72 77.23 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.092 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.73 79.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.31 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -63.62 -48.44 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.594 178.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.1 ppt_? -64.29 -35.73 81.78 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 120.421 -0.511 . . . . 0.0 111.427 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -64.76 -33.47 76.06 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.565 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.01 -21.83 65.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.138 0.494 . . . . 0.0 110.562 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.7 mt -94.24 -29.11 15.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.476 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.704 -178.45 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 121.272 0.558 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -168.76 55.04 0.21 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.226 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -56.04 124.74 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.276 -0.462 . . . . 0.0 111.314 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -109.32 102.66 50.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.228 177.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 60.8 Cg_endo -77.79 156.34 31.17 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.563 2.175 . . . . 0.0 111.409 175.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 2.7 Cg_exo -76.04 33.97 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 123.017 2.478 . . . . 0.0 113.027 -177.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -134.57 13.28 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.42 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 20.6 m -78.48 147.33 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.604 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.466 ' HB2' HG12 ' A' ' 50' ' ' ILE . 10.4 m -124.44 116.68 22.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 167.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 m -81.45 100.61 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.178 0.513 . . . . 0.0 110.905 -177.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.613 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.6 mt -79.65 149.47 31.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.825 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -112.14 99.76 8.31 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mm -90.17 134.11 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.026 -174.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -84.72 108.9 17.66 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.484 HG23 ' HD2' ' A' ' 15' ' ' PRO . 66.5 mt -65.81 139.66 96.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.198 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HD2' HG23 ' A' ' 14' ' ' ILE . 25.2 Cg_exo -56.7 145.64 81.24 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.64 2.227 . . . . 0.0 110.821 176.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.55 -23.96 66.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.626 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -89.18 -32.31 17.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.101 0.476 . . . . 0.0 110.944 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.408 HD13 ' HB2' ' A' ' 15' ' ' PRO . 1.5 mp -77.43 134.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.964 -177.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.07 142.73 30.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.088 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -74.27 96.7 2.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 23' ' ' ALA . 32.3 p30 -151.96 -177.23 6.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.402 -176.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.39 -25.76 66.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.373 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -59.73 -42.45 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.111 0.481 . . . . 0.0 110.425 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.1 tt -59.39 -45.33 91.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.623 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 81.4 tttt -61.54 -48.12 82.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.548 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.2 m -64.99 -32.18 57.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.405 -176.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 65.6 mtt180 -64.58 -53.12 52.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.117 0.484 . . . . 0.0 110.125 173.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.716 ' O ' HG11 ' A' ' 34' ' ' VAL . 19.0 mt -68.73 -29.48 67.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.622 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.524 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.5 mt -65.9 -6.96 13.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 111.465 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -106.84 17.02 23.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.21 175.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.56 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 82.6 m -92.08 143.49 26.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.796 0.331 . . . . 0.0 110.318 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.29 107.43 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 111.801 -174.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.34 10.93 28.53 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.947 -0.569 . . . . 0.0 113.111 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.716 HG11 ' O ' ' A' ' 28' ' ' LEU . 32.7 m -80.27 145.23 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.964 0.411 . . . . 0.0 111.126 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 32.2 mmmt -117.02 -31.92 5.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.065 173.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -169.42 141.23 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.178 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.542 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 97.9 t -120.6 130.01 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.361 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 6.5 mp -116.18 141.2 48.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.721 178.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -99.98 133.2 43.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 120.939 0.399 . . . . 0.0 110.288 175.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.28 82.92 1.92 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.413 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 27.6 mt-10 -58.61 -38.27 77.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.619 -176.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.24 -38.37 90.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.747 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -88.94 -8.13 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.102 0.477 . . . . 0.0 110.765 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.464 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 9.8 t60 55.04 42.55 30.84 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.6 -171.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -135.43 175.86 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.559 -172.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.81 136.28 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.93 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.613 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 65.8 m-85 -103.32 104.93 15.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.218 0.532 . . . . 0.0 109.996 174.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.434 HG13 HG22 ' A' ' 37' ' ' VAL . 56.7 t -105.16 113.21 41.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -83.66 122.48 28.67 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.928 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.616 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 5.5 pt -105.5 156.45 6.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.776 -175.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' HD3' ' A' ' 35' ' ' LYS . 34.1 t70 -87.2 99.09 11.69 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.7 p -68.21 1.34 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.13 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 9.3 mmpt? -88.49 -39.14 14.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.5 p -91.84 -27.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.463 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 t -144.02 176.73 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.707 0.289 . . . . 0.0 110.856 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -127.29 162.87 25.21 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 173.846 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.654 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 37.6 ttp180 -46.32 -53.37 10.96 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -175.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.27 -43.69 77.23 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.183 -171.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.73 -52.56 64.59 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.987 0.423 . . . . 0.0 111.036 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.553 ' O ' HD12 ' A' ' 64' ' ' ILE . 14.0 p -67.94 -36.43 75.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.417 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.654 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 6.7 tm-20 -57.35 -47.92 80.36 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.808 0.443 . . . . 0.0 110.174 177.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 35.9 tt0 -57.71 -40.93 80.68 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.244 177.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.81 87.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.661 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -62.08 -50.19 81.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.539 178.121 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -62.56 -35.03 78.19 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.141 -179.051 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 27.6 mt-30 -64.21 -36.46 84.15 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.97 -25.84 65.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.32 0.581 . . . . 0.0 110.062 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.18 -41.45 10.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.374 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 83.3 mtp . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -118.1 -96.03 1.78 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.12 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -129.61 122.25 28.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -127.23 97.09 32.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.913 0.387 . . . . 0.0 111.078 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.78 145.73 76.1 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.895 2.397 . . . . 0.0 111.331 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.22 37.73 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 123.17 2.58 . . . . 0.0 112.85 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -133.07 5.35 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.739 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.649 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.7 m -85.44 139.8 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.729 -0.668 . . . . 0.0 112.711 -175.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.469 ' HB2' HG12 ' A' ' 50' ' ' ILE . 21.8 m -119.29 120.95 38.48 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 164.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 p -85.5 114.8 22.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.031 0.443 . . . . 0.0 111.034 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.655 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 5.2 mt -95.3 144.26 26.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.51 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -104.61 103.74 13.45 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.1 mm -92.43 131.34 39.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.153 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -76.86 112.26 13.27 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.8 mt -72.68 140.95 81.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 14' ' ' ILE . 16.4 Cg_exo -62.06 152.8 73.36 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.471 2.114 . . . . 0.0 110.787 173.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.43 59.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.18 -35.12 56.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.256 0.55 . . . . 0.0 110.328 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.95 133.25 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.082 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.61 136.19 34.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.326 0.584 . . . . 0.0 111.116 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -84.42 94.28 8.48 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.104 177.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -159.29 -172.74 3.86 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 41.7 tt0 -56.77 -31.18 64.36 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.67 86.37 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.0 0.429 . . . . 0.0 110.886 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.2 tt -64.89 -41.31 95.72 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.621 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.7 tttt -59.12 -53.01 63.16 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.098 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.56 -34.77 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -71.51 -37.18 71.24 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.868 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.679 ' O ' HG11 ' A' ' 34' ' ' VAL . 30.6 mt -74.65 -29.05 61.11 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 120.837 0.351 . . . . 0.0 110.752 177.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD11 ' HE2' ' A' ' 25' ' ' LYS . 25.7 mt -65.83 -5.16 8.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 111.257 174.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -97.77 7.87 45.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.047 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.574 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 32.8 m -88.33 143.97 26.69 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 -177.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.47 114.18 4.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 0.0 111.292 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.8 24.13 12.47 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.004 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 28' ' ' LEU . 26.8 m -90.49 134.28 29.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.196 0.522 . . . . 0.0 111.028 178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.493 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 71.2 mmtt -106.41 -36.74 6.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.296 174.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -168.74 140.96 2.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.386 -174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.45 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.6 t -123.81 125.8 71.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.998 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 9.2 tt -118.18 131.55 56.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.818 -178.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -92.44 121.6 43.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.11 0.481 . . . . 0.0 110.003 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.59 83.04 1.8 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.656 175.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.86 -20.4 65.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.785 0.326 . . . . 0.0 110.631 -178.576 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.0 -29.96 68.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.193 173.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -115.94 0.41 13.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.844 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.417 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 38.7 t60 48.68 40.77 16.51 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.838 0.828 . . . . 0.0 109.389 -170.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -129.88 164.58 23.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.348 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -118.5 131.81 56.23 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.239 178.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.655 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 7.7 m-85 -99.49 103.41 15.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.474 0.654 . . . . 0.0 109.542 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.86 114.01 41.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.897 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 91.7 mttt -88.21 122.27 31.56 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.418 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.649 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 10.2 pt -104.44 155.52 5.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.67 -173.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.493 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 36.0 t70 -81.7 99.21 8.8 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 170.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 m -69.05 2.0 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.582 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -88.13 -43.06 11.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.575 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.4 p -89.82 -32.04 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 t -143.95 179.52 7.13 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.055 -174.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.439 ' O ' HG12 ' A' ' 60' ' ' VAL . 25.1 m-80 -126.99 161.12 29.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 46.9 ttp180 -46.85 -51.54 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -174.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.2 -41.11 64.17 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.998 -167.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -64.37 -48.16 76.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 50' ' ' ILE . 11.2 p -68.16 -37.89 78.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.325 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -53.35 -46.89 69.71 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.12 0.486 . . . . 0.0 109.777 174.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 51.9 tt0 -54.66 -46.25 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.253 177.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.05 77.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -65.96 -47.64 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.32 177.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 6.8 ppt_? -65.86 -33.05 74.96 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.235 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.1 mt-30 -68.36 -29.44 68.16 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.49 175.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.91 75.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.183 0.516 . . . . 0.0 109.67 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.8 mt -77.58 -26.65 50.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.482 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.816 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 77.98 -110.39 3.03 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.654 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.11 -4.91 28.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.212 0.529 . . . . 0.0 109.864 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.411 ' CG ' HG21 ' A' ' 7' ' ' VAL . 30.5 tt0 -113.28 105.25 55.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.719 -177.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.527 ' HG2' ' HE2' ' A' ' 35' ' ' LYS . 39.1 Cg_exo -61.92 152.59 74.02 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.653 2.235 . . . . 0.0 111.915 175.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 7.4 Cg_exo -74.01 9.04 1.82 Allowed 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.068 2.512 . . . . 0.0 112.753 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -111.09 9.32 22.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.94 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.731 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.9 m -79.29 149.76 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-O 121.31 0.576 . . . . 0.0 111.898 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.469 ' HB3' HG12 ' A' ' 50' ' ' ILE . 13.2 t -133.76 112.58 11.48 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 168.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -79.2 100.93 7.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.947 0.403 . . . . 0.0 110.702 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.471 HD13 ' HG3' ' A' ' 57' ' ' ARG . 12.6 mt -79.5 127.14 31.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.184 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 24.5 ttp180 -87.99 104.58 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -91.76 128.43 43.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.765 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -77.96 108.99 11.62 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.466 HG23 ' HD2' ' A' ' 15' ' ' PRO . 92.7 mt -73.58 139.95 78.25 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.947 -173.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 14' ' ' ILE . 17.3 Cg_exo -59.81 154.11 52.06 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.551 2.168 . . . . 0.0 111.276 176.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.22 -41.73 73.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.338 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.73 -28.03 44.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.539 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.73 131.89 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.01 131.82 35.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.095 0.474 . . . . 0.0 110.776 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.611 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -79.69 92.29 5.37 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.986 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -154.74 -168.4 2.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.314 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.37 -30.8 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.26 88.92 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.003 0.43 . . . . 0.0 110.857 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.656 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.2 tt -64.25 -41.57 96.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.404 0.621 . . . . 0.0 109.569 175.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.597 ' HE2' HD11 ' A' ' 29' ' ' LEU . 82.6 tttt -60.08 -52.18 66.45 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.241 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 33.2 m -66.74 -35.78 75.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -173.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -68.78 -35.88 77.6 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.412 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.3 mt -76.26 -30.55 57.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.003 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.597 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.8 mt -63.61 -20.26 65.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.54 178.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 8.9 mm-40 -82.69 10.96 6.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 0.0 111.374 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.429 ' HB ' ' CG2' ' A' ' 34' ' ' VAL . 3.2 m -96.7 147.75 23.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.932 0.396 . . . . 0.0 110.59 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -76.89 119.84 21.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.312 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.0 -10.07 40.18 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.444 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.429 ' CG2' ' HB ' ' A' ' 31' ' ' THR . 97.2 t -71.74 125.85 31.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.384 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HE2' ' HG2' ' A' ' 4' ' ' PRO . 32.3 mmmt -97.79 -32.32 11.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.239 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' ' 38' ' ' LEU . 31.5 tt0 -170.25 141.02 1.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.455 -177.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.544 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 97.3 t -117.76 128.25 74.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.965 0.412 . . . . 0.0 110.402 178.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 8.9 mp -110.75 140.5 45.1 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.75 128.83 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.15 86.76 2.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.818 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.611 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 1.1 mm-40 -63.43 -23.5 67.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 110.595 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 42' ' ' GLU . 1.8 mp0 -59.61 -33.67 71.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.481 176.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -108.73 -7.27 15.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.6 t60 54.4 40.25 31.62 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.625 -171.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.433 ' HA ' HG13 ' A' ' 14' ' ' ILE . 67.7 m -140.67 162.04 36.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.869 -177.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -110.81 147.94 33.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.404 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.552 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 40.5 m-85 -112.76 103.73 11.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.285 0.564 . . . . 0.0 109.621 170.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.405 HG22 HG13 ' A' ' 37' ' ' VAL . 57.8 t -100.01 110.76 27.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.336 -176.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -80.36 120.95 25.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.297 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.731 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 15.8 pt -105.07 149.34 8.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.44 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.468 ' HB3' HG12 ' A' ' 54' ' ' VAL . 22.5 t70 -88.64 107.53 18.97 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 169.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 m -64.9 -11.21 35.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.227 -174.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -83.87 -31.23 25.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.549 0.214 . . . . 0.0 111.198 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 51' ' ' ASP . 10.6 p -105.13 -32.02 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -126.88 176.91 6.94 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.639 -173.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -129.77 141.8 50.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.532 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.607 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 43.2 ttp180 -47.09 -54.04 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.68 -42.92 81.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -173.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.03 -45.91 83.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.329 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.583 ' O ' HD12 ' A' ' 64' ' ' ILE . 7.8 p -70.22 -40.16 77.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 5.6 tm-20 -53.73 -45.18 70.42 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.235 0.614 . . . . 0.0 109.579 174.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 50.3 tt0 -54.58 -49.09 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.291 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.38 90.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.6 -50.04 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.66 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -63.46 -35.88 81.91 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.236 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.3 mt-30 -63.37 -27.5 69.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.066 0.46 . . . . 0.0 111.263 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.11 -21.81 62.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.724 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -94.78 -34.47 12.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.199 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.364 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 50.6 tpp . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.803 0.335 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -152.76 41.75 0.69 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? 62.05 58.79 1.79 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 122.932 0.493 . . . . 0.0 110.788 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.69 123.62 77.79 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.435 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' O ' HG22 ' A' ' 7' ' ' VAL . 60.3 Cg_endo -77.34 156.88 33.09 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.518 2.145 . . . . 0.0 111.724 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.07 35.87 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.044 2.496 . . . . 0.0 112.804 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -128.81 -0.83 5.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.6 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 18.5 m -79.32 131.25 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 121.271 0.557 . . . . 0.0 110.678 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 t -118.34 122.22 42.33 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -84.23 113.16 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.896 0.379 . . . . 0.0 110.335 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.4 mt -99.6 124.06 44.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.425 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 35.4 ttm180 -84.85 102.66 13.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mm -91.06 126.22 43.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.368 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -76.42 111.86 12.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.054 0.454 . . . . 0.0 109.881 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.522 HG23 ' HD2' ' A' ' 15' ' ' PRO . 80.0 mt -78.22 142.5 63.59 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.519 -176.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' HG23 ' A' ' 14' ' ' ILE . 19.4 Cg_exo -57.51 144.82 91.18 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.569 2.179 . . . . 0.0 110.659 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.38 -24.0 65.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.269 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.32 -39.88 17.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.563 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.29 132.44 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.275 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.85 134.41 35.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.159 0.504 . . . . 0.0 111.716 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -76.02 95.5 3.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.632 174.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -159.67 -169.86 2.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.55 -28.77 69.57 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -175.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.9 84.8 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.473 0.654 . . . . 0.0 110.094 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 1.3 tp -63.06 -44.58 95.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.344 174.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HE2' HD11 ' A' ' 29' ' ' LEU . 82.1 tttt -58.14 -52.94 63.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.525 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.0 -32.93 60.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -72.57 -37.02 68.32 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.378 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD22 HG23 ' A' ' 64' ' ' ILE . 39.7 mt -76.1 -29.87 58.07 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.014 178.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD11 ' HE2' ' A' ' 25' ' ' LYS . 15.9 mt -64.25 -11.89 35.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 177.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -97.56 14.74 25.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.61 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 19.7 m -89.96 143.83 26.44 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.34 111.81 2.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.411 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.9 14.14 29.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.101 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.61 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 30.1 m -83.09 149.73 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.941 0.401 . . . . 0.0 110.631 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.455 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 70.6 mmtt -117.87 -37.63 3.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.413 173.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -168.37 140.92 2.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.499 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.442 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.5 t -118.74 120.53 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.365 0.603 . . . . 0.0 111.325 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.9 mp -100.76 140.88 34.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.837 177.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -100.1 133.65 42.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.965 0.412 . . . . 0.0 110.071 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.03 81.15 1.94 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.983 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.643 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 43.0 mt-10 -61.29 -31.09 70.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.422 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.47 -25.31 67.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.378 0.608 . . . . 0.0 110.466 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -110.81 -2.27 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.345 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 t60 50.78 39.86 23.15 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.608 -171.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.408 ' HA ' HG13 ' A' ' 14' ' ' ILE . 67.5 m -138.64 166.88 23.21 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.729 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -114.34 154.94 27.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.393 177.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.508 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 69.8 m-85 -118.23 103.17 9.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.457 0.646 . . . . 0.0 109.784 169.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.8 t -99.84 114.12 37.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.36 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -80.78 119.12 22.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.594 HG21 HG11 ' A' ' 60' ' ' VAL . 33.6 pt -105.21 166.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.47 0.652 . . . . 0.0 111.435 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.455 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 29.7 t70 -97.36 105.27 17.39 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.657 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -70.7 -0.65 9.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.817 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -87.97 -29.13 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 0.0 110.703 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -109.33 -27.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -139.79 176.84 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.881 -175.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.472 ' O ' HG12 ' A' ' 60' ' ' VAL . 61.2 t30 -127.82 142.72 51.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.137 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.607 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 34.7 ttp180 -46.04 -54.94 7.58 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -172.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.77 -36.67 80.9 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.067 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -68.44 -52.18 35.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.577 -179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 50' ' ' ILE . 14.9 p -66.76 -33.7 65.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.512 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -55.86 -45.43 78.48 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 50.1 tt0 -61.11 -39.12 88.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.669 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.87 90.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.89 0.376 . . . . 0.0 110.652 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.601 HG23 HD22 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -62.98 -47.55 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.296 177.423 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -62.77 -34.19 76.72 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.341 -179.054 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.89 -33.07 75.0 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.806 0.336 . . . . 0.0 111.584 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.26 -21.24 65.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.264 0.554 . . . . 0.0 110.282 175.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 ' HD3' ' A' ' 15' ' ' PRO . 64.0 mt -93.9 -40.27 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.924 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.789 -178.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.749 0.309 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -83.83 -80.05 1.05 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.299 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -87.81 -54.1 4.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.819 0.342 . . . . 0.0 110.808 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -97.95 132.68 24.29 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.671 -174.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.504 ' HD3' ' HE2' ' A' ' 35' ' ' LYS . 96.1 Cg_endo -84.29 167.13 12.26 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.157 2.571 . . . . 0.0 111.22 174.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -67.27 -0.76 5.33 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.022 2.481 . . . . 0.0 112.601 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -99.84 -1.87 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.696 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.55 HG22 ' HB3' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -59.67 142.35 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.147 -175.622 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 m -134.39 124.63 26.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.326 172.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 p -91.92 101.48 14.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.94 0.4 . . . . 0.0 110.803 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.6 mt -79.99 133.36 36.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.419 -177.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -92.83 106.04 18.07 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.25 132.58 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.108 -178.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 8.0 pt-20 -81.24 108.61 15.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.51 0.672 . . . . 0.0 109.828 175.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 15' ' ' PRO . 75.8 mt -72.56 137.22 80.58 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.162 -176.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 14' ' ' ILE . 35.9 Cg_exo -54.56 142.73 70.73 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.69 2.26 . . . . 0.0 111.341 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.51 -25.0 67.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.72 -29.85 25.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mp -84.14 133.51 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.19 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.68 141.67 32.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -78.56 95.46 5.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.617 176.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.68 -175.81 5.6 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.451 -177.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.16 -28.01 69.46 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.88 83.14 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.497 0.665 . . . . 0.0 110.274 177.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.572 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.1 tt -61.31 -45.19 95.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.366 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HE2' HD11 ' A' ' 29' ' ' LEU . 81.6 tttt -58.49 -52.39 65.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.674 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.46 -34.75 71.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -73.83 -36.11 64.91 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.509 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.677 ' O ' HG11 ' A' ' 34' ' ' VAL . 34.2 mt -73.67 -29.81 62.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.749 0.309 . . . . 0.0 110.403 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.544 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.8 mt -64.99 -4.88 5.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.721 0.296 . . . . 0.0 111.488 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -105.94 8.69 32.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.149 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.596 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 16.9 m -87.22 144.43 26.82 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.009 0.433 . . . . 0.0 109.962 -177.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.52 110.79 2.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.326 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.52 3.01 35.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.995 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.677 HG11 ' O ' ' A' ' 28' ' ' LEU . 21.9 m -76.6 142.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.289 0.566 . . . . 0.0 110.93 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.504 ' HE2' ' HD3' ' A' ' 4' ' ' PRO . 31.9 mmmt -113.56 -37.14 4.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.484 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -169.21 140.78 2.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.942 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.479 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 87.7 t -120.59 126.33 75.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.098 0.475 . . . . 0.0 110.925 -177.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.6 mp -109.41 140.76 42.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.15 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -106.42 131.1 57.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.957 0.408 . . . . 0.0 110.298 174.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.15 89.88 3.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.551 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 44.4 mt-10 -60.43 -38.94 85.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.696 -175.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.36 -35.33 80.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.761 0.315 . . . . 0.0 110.948 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -90.0 -7.15 54.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.482 . . . . 0.0 110.382 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 51.75 38.91 24.25 Favored 'General case' 0 C--N 1.335 -0.062 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.678 -172.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.402 ' HA ' HG13 ' A' ' 14' ' ' ILE . 25.3 m -139.76 160.76 39.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.186 -176.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.79 149.01 37.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.356 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 94.6 m-85 -113.49 104.13 11.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.216 0.531 . . . . 0.0 109.589 171.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.409 HG22 HG13 ' A' ' 37' ' ' VAL . 60.6 t -100.96 113.73 37.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.609 -176.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.55 ' HB3' HG22 ' A' ' 7' ' ' VAL . 79.1 mttt -80.91 121.31 25.83 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.209 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 35.2 pt -105.9 165.27 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.49 0.662 . . . . 0.0 111.549 -178.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.542 ' HB3' HG12 ' A' ' 54' ' ' VAL . 18.4 t70 -103.62 100.34 10.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.942 -1.481 . . . . 0.0 108.685 172.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.589 ' HA ' ' O ' ' A' ' 55' ' ' THR . 24.1 p -67.65 -1.45 5.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -173.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 13.1 mmmm -88.96 -37.46 15.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.776 0.322 . . . . 0.0 111.085 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.542 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.0 p -91.28 -27.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.589 ' O ' ' HA ' ' A' ' 52' ' ' SER . 11.3 t -154.98 157.73 38.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.382 -177.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' O ' HG12 ' A' ' 60' ' ' VAL . 40.4 m-80 -102.3 164.43 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 40.7 ttp180 -46.73 -55.44 7.81 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 123.741 0.651 . . . . 0.0 112.726 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.72 -43.03 94.71 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.351 -165.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -63.41 -52.8 60.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 111.36 -177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.591 ' O ' HD12 ' A' ' 64' ' ' ILE . 14.7 p -70.75 -37.36 68.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 34.5 tt0 -57.76 -43.95 85.79 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.386 0.674 . . . . 0.0 110.198 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.473 ' HG3' ' NH2' ' A' ' 65' ' ' ARG . 29.4 tt0 -58.91 -44.33 91.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.178 176.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.99 96.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.33 -48.33 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.624 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.473 ' NH2' ' HG3' ' A' ' 62' ' ' GLN . 5.7 ppt_? -66.09 -35.54 80.78 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.273 -0.571 . . . . 0.0 111.143 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 28.5 mt-30 -65.47 -32.41 74.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.737 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.3 -22.71 65.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.217 0.532 . . . . 0.0 110.167 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.7 mt -91.0 -31.04 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.469 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.859 -179.408 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 88.27 9.14 70.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.392 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -93.48 141.92 27.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.592 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 36.2 mt-10 -74.93 133.85 75.49 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.062 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.639 ' O ' HG22 ' A' ' 7' ' ' VAL . 33.1 Cg_exo -58.65 137.6 81.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.472 2.115 . . . . 0.0 111.656 -176.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 23.0 Cg_exo -63.49 1.55 1.28 Allowed 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.025 2.483 . . . . 0.0 113.791 -174.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -105.89 1.0 26.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 4' ' ' PRO . 33.8 m -83.22 138.91 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 120.981 0.42 . . . . 0.0 110.605 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 m -123.94 112.69 17.52 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -82.1 111.77 18.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.092 0.472 . . . . 0.0 109.786 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.5 HD22 ' HG3' ' A' ' 57' ' ' ARG . 10.0 mt -95.41 127.29 41.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.084 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -87.63 102.15 14.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.172 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -91.87 128.89 43.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.969 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -77.42 110.47 12.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.876 0.37 . . . . 0.0 110.08 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.434 HG13 ' HA ' ' A' ' 45' ' ' SER . 67.2 mt -69.46 139.28 89.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.388 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 14' ' ' ILE . 22.5 Cg_exo -59.87 157.37 33.76 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.768 2.312 . . . . 0.0 111.073 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.52 -34.78 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.904 0.383 . . . . 0.0 110.686 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.46 -43.48 32.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.578 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.02 130.79 33.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.459 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.18 143.42 32.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.168 0.509 . . . . 0.0 111.483 -177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.73 91.49 8.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.182 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -153.79 -173.48 4.59 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.239 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 34.2 tt0 -60.9 -32.46 71.92 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -175.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.79 83.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.473 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 10.1 tt -61.52 -43.72 98.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.25 175.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HE2' HD11 ' A' ' 29' ' ' LEU . 78.5 tttt -60.31 -54.16 49.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.649 -178.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.7 m -66.53 -32.04 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.086 -172.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.18 -36.14 64.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.303 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 34.4 mt -73.45 -29.12 62.35 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.571 175.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.623 HD11 ' HE2' ' A' ' 25' ' ' LYS . 18.7 mt -64.26 -6.12 6.27 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.498 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 42.5 mt-10 -100.28 16.66 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.611 0.243 . . . . 0.0 111.04 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.594 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 10.1 m -94.63 144.74 25.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -177.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.89 110.74 5.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.108 0.48 . . . . 0.0 111.317 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.81 17.82 13.82 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.609 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.594 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 35.3 m -85.44 142.66 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.345 0.593 . . . . 0.0 111.395 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -110.65 -38.39 5.18 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.677 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -170.45 140.58 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.645 -175.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.541 HG22 HG13 ' A' ' 48' ' ' VAL . 95.0 t -118.21 128.22 75.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.998 0.428 . . . . 0.0 110.667 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.9 mp -112.68 140.32 47.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.037 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.07 120.14 50.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 171.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.27 87.23 2.83 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -64.25 -39.29 93.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 -171.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.37 -30.2 69.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.312 0.577 . . . . 0.0 110.425 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -88.78 -11.16 45.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.36 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t60 53.83 36.37 23.9 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.131 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.434 ' HA ' HG13 ' A' ' 14' ' ' ILE . 48.7 m -138.22 165.68 26.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.429 -175.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.01 144.82 43.01 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.444 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 59.8 m-85 -111.53 103.21 11.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.483 0.658 . . . . 0.0 109.501 171.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 37' ' ' VAL . 32.9 t -101.34 110.04 27.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.976 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -83.34 122.12 28.04 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.755 HG21 HG11 ' A' ' 60' ' ' VAL . 44.6 pt -105.1 161.6 4.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.687 0.756 . . . . 0.0 111.57 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.03 100.78 13.18 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.74 -1.573 . . . . 0.0 108.091 173.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 m -70.37 0.78 5.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.358 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -88.66 -38.06 15.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.0 110.645 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.8 p -95.46 -34.74 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -126.88 -179.9 5.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.1 0.476 . . . . 0.0 111.584 -172.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.499 ' O ' HG12 ' A' ' 60' ' ' VAL . 54.1 t30 -134.6 137.45 43.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.45 -178.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.728 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 4.0 ttp180 -45.83 -54.71 7.63 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.32 -45.28 92.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -172.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -66.14 -49.21 68.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.332 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.755 HG11 HG21 ' A' ' 50' ' ' ILE . 12.3 p -68.17 -36.47 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.193 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.728 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 8.3 tm-20 -54.76 -45.65 74.23 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.399 0.68 . . . . 0.0 109.779 175.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.578 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 28.1 tt0 -55.55 -49.79 71.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.238 176.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.25 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 0.0 111.013 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.9 OUTLIER -64.6 -49.79 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.403 178.504 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 7.2 ppt_? -62.54 -38.33 89.58 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.401 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 96.9 mt-30 -60.82 -37.78 83.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.554 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.49 82.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.833 0.349 . . . . 0.0 110.286 175.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -77.24 -32.98 56.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.878 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.016 -178.519 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.625 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.2 m . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.312 0.577 . . . . 0.0 111.784 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -118.33 117.93 30.41 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -82.47 108.04 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.062 0.458 . . . . 0.0 110.77 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.657 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.3 mt -81.78 148.67 28.77 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -109.44 98.36 7.77 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -90.74 135.87 25.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.915 -176.061 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.38 115.05 21.24 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.465 HG23 ' HD2' ' A' ' 15' ' ' PRO . 58.1 mt -66.55 138.35 95.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.32 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.465 ' HD2' HG23 ' A' ' 14' ' ' ILE . 22.4 Cg_exo -56.29 152.15 40.35 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.67 2.246 . . . . 0.0 111.155 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -25.42 65.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.824 -175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -93.25 -28.65 16.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.211 0.529 . . . . 0.0 110.617 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.57 139.26 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.114 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.77 151.0 21.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.952 0.406 . . . . 0.0 111.121 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 41' ' ' GLU . . . -76.21 86.72 3.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.455 173.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -142.28 177.3 8.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.715 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.42 -25.86 66.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.91 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.69 90.66 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.198 0.523 . . . . 0.0 110.098 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 10.2 tt -60.95 -39.86 91.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.609 174.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HB2' HD13 ' A' ' 39' ' ' ILE . 79.2 tttt -64.93 -53.59 43.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.476 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.97 -33.82 62.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -71.84 -39.12 69.98 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.546 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.1 mt -74.37 -29.81 61.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.456 -0.152 . . . . 0.0 111.268 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.522 HD11 ' HE2' ' A' ' 25' ' ' LYS . 16.0 mt -65.96 -9.44 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.625 0.25 . . . . 0.0 111.635 177.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -95.72 14.4 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.601 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 13.9 m -93.6 144.31 25.5 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -67.23 114.04 5.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.018 0.437 . . . . 0.0 111.274 -175.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.48 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 103.81 8.87 38.84 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.927 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.601 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.3 m -78.25 137.65 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.082 0.468 . . . . 0.0 111.061 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -114.12 -26.49 8.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.286 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -168.17 144.17 3.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.925 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.604 HG22 HG13 ' A' ' 48' ' ' VAL . 88.2 t -128.53 112.66 27.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -107.0 117.15 33.31 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.626 -176.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.5 mp -76.74 129.63 37.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-O 121.156 0.503 . . . . 0.0 110.124 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.93 85.36 2.1 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 20' ' ' ALA . 37.3 mt-10 -59.79 -40.32 87.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.05 -22.39 59.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.342 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -100.27 -7.18 24.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.04 0.448 . . . . 0.0 110.934 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 21.3 t60 53.77 40.24 31.26 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.288 -173.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.8 m -138.42 170.98 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.003 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -128.28 129.12 45.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.225 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.657 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 34.0 m-85 -99.81 102.85 14.4 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.289 0.566 . . . . 0.0 109.663 174.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.604 HG13 HG22 ' A' ' 37' ' ' VAL . 21.3 t -104.74 117.02 49.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.188 -176.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -82.82 126.11 32.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.02 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.625 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 26.5 pt -104.11 149.9 7.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.391 -177.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' A' ' 53' ' ' LYS . 14.2 t70 -93.03 103.86 16.13 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.114 173.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.4 m -69.74 1.32 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -174.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 30.1 mmmt -88.28 -28.36 21.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.152 -0.343 . . . . 0.0 110.597 176.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -110.34 -39.7 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.48 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 14.9 t -128.18 161.23 29.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.158 0.504 . . . . 0.0 111.673 -171.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 60' ' ' VAL . 43.2 t30 -114.33 147.53 38.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.414 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.603 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 53.1 ttp180 -47.18 -54.53 10.44 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -173.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -63.63 -44.74 93.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.816 0.341 . . . . 0.0 110.724 -175.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.06 -51.67 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.052 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.577 ' O ' HD12 ' A' ' 64' ' ' ILE . 13.5 p -68.42 -37.15 77.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.603 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.2 tm-20 -55.46 -48.87 73.82 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.224 0.61 . . . . 0.0 109.908 176.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 35.4 tt0 -56.55 -43.52 80.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.702 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.23 83.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -61.33 -45.89 97.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.526 178.533 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 6.1 ppt_? -68.28 -32.26 72.29 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.4 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 57.0 mt-30 -65.66 -28.79 69.34 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.555 176.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.28 -21.14 62.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.308 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.421 HD13 ' HD3' ' A' ' 15' ' ' PRO . 54.7 mt -91.66 -39.64 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.056 175.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.517 178.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.624 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.0 m . . . . . 0 N--CA 1.447 -0.595 0 CA-C-O 121.421 0.629 . . . . 0.0 111.87 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -117.53 115.88 26.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.84 171.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -82.76 108.44 16.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 0.0 110.978 -176.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.61 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 6.8 mt -90.18 135.72 33.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.986 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -97.98 99.62 10.92 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mm -91.06 128.42 42.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.155 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.03 108.45 12.53 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.548 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.2 mt -68.25 139.38 92.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.548 ' HD2' HG23 ' A' ' 14' ' ' ILE . 21.5 Cg_exo -55.34 157.38 14.61 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 123.083 2.522 . . . . 0.0 111.542 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.64 -19.53 60.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.983 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -92.77 -41.81 9.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.922 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.431 HD13 ' HG2' ' A' ' 15' ' ' PRO . 2.1 mp -71.18 128.96 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.846 -177.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 143.96 32.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.139 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -79.42 90.98 5.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.085 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -151.26 -175.18 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.913 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.41 -30.94 68.82 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.06 -42.44 80.57 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.264 0.554 . . . . 0.0 110.612 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.5 tt -61.79 -42.05 98.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.541 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.6 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.4 tttt -61.32 -53.27 58.9 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.604 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -63.42 -34.67 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -73.48 -38.98 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.976 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.5 mt -70.34 -29.57 66.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.592 177.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.6 HD11 ' HE2' ' A' ' 25' ' ' LYS . 19.0 mt -65.22 -6.58 9.84 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.585 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -101.86 26.23 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.575 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 8.8 m -108.43 146.94 32.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.644 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -57.09 118.78 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.708 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.9 7.47 66.11 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.601 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.584 HG11 ' O ' ' A' ' 28' ' ' LEU . 32.6 m -71.42 136.88 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 117.161 0.48 . . . . 0.0 110.645 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 28.0 mmmt -111.8 -31.51 6.93 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HG3' HD12 ' A' ' 38' ' ' LEU . 6.5 tp10 -170.29 146.3 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.913 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.1 t -123.77 115.14 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.005 0.431 . . . . 0.0 110.272 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.6 mp -96.83 135.64 38.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.176 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.504 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.6 mp -96.24 121.61 46.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 170.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.57 85.54 2.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.27 -25.14 65.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.6 -174.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.09 -9.04 59.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.96 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -119.39 -8.33 10.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.169 0.509 . . . . 0.0 110.93 -172.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.5 t60 53.3 36.58 23.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.877 0.846 . . . . 0.0 109.045 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 m -138.12 165.95 25.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.163 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.16 139.14 54.11 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.61 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 54.9 m-85 -107.71 103.0 12.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.562 0.696 . . . . 0.0 110.031 173.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 49.0 t -96.4 111.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.832 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -86.27 115.19 23.66 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.722 HG21 HG11 ' A' ' 60' ' ' VAL . 43.0 pt -104.88 166.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.356 0.598 . . . . 0.0 111.428 -178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' HB3' HG12 ' A' ' 54' ' ' VAL . 27.4 t70 -89.78 109.27 20.28 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.874 172.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 p -63.72 -7.74 8.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.631 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -88.46 -47.5 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.618 0.247 . . . . 0.0 111.289 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.456 HG12 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -84.99 -29.62 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -175.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -135.79 179.13 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.397 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.473 ' O ' HG12 ' A' ' 60' ' ' VAL . 48.5 t-20 -135.12 140.13 45.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 47.1 ttp180 -46.07 -54.43 8.53 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.19 -38.62 82.19 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.1 -171.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 62' ' ' GLN . 47.5 mt-10 -68.59 -48.22 64.73 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.255 0.55 . . . . 0.0 110.686 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.722 HG11 HG21 ' A' ' 50' ' ' ILE . 12.1 p -69.29 -35.65 68.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.236 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.6 tm-20 -55.98 -43.62 77.77 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.492 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 8.4 tt0 -54.44 -45.5 73.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.486 176.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.31 -42.17 88.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.52 -46.52 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.464 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.4 ppt_? -62.2 -37.47 85.43 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -64.21 -32.82 74.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.626 0.25 . . . . 0.0 111.585 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.7 -21.97 63.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.192 0.52 . . . . 0.0 110.327 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD13 ' HD3' ' A' ' 15' ' ' PRO . 72.1 mt -89.98 -29.42 18.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.335 174.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 55.0 mm-40 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.294 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.634 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 12.6 m . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.071 0.462 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 9.0 t -126.73 125.93 42.62 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -90.38 108.28 19.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.207 0.527 . . . . 0.0 110.842 -176.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.2 mt -90.25 118.12 29.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.263 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -78.67 97.96 6.03 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 10' ' ' LEU . 2.8 mm -91.46 129.14 42.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.89 119.3 21.87 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.428 HG13 ' HA ' ' A' ' 45' ' ' SER . 66.7 mt -70.16 139.01 87.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.639 -176.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.7 Cg_exo -58.14 157.82 24.1 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.692 2.262 . . . . 0.0 111.404 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.71 75.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.63 -39.39 31.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.077 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.63 134.8 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.244 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.95 148.46 26.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.199 0.524 . . . . 0.0 111.525 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.88 93.61 8.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.589 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -167.37 -166.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -62.07 -32.09 72.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.597 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.77 82.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.265 0.555 . . . . 0.0 110.505 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 tt -65.33 -43.01 92.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.558 176.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 67.7 tttt -62.94 -52.15 64.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.491 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.65 -32.77 59.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -72.06 -39.16 69.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.245 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.541 ' O ' HG11 ' A' ' 34' ' ' VAL . 33.0 mt -76.19 -29.37 57.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.425 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.01 -4.93 3.84 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.31 17.7 22.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.705 0.288 . . . . 0.0 110.891 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.586 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 14.8 m -97.55 143.93 27.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.72 113.05 4.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.717 0.294 . . . . 0.0 111.378 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 103.98 11.01 33.31 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.731 176.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.586 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 33.0 m -80.88 143.34 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 110.715 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -117.08 -35.12 4.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.213 0.53 . . . . 0.0 110.052 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -167.05 141.33 3.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.173 -175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.569 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 62.8 t -120.69 113.62 40.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -105.79 106.96 17.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.596 -174.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.402 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -75.99 130.23 36.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.101 0.477 . . . . 0.0 110.207 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.84 89.8 3.17 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.07 -41.93 93.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.451 -172.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -74.94 -28.52 60.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.358 . . . . 0.0 111.328 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -83.08 -13.13 56.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.157 0.503 . . . . 0.0 110.443 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.8 t60 58.03 39.94 25.89 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.304 -174.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.428 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.4 m -142.27 165.76 26.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.506 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.82 129.54 26.24 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 175.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.566 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 63.7 m-85 -89.99 107.16 18.95 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.98 0.419 . . . . 0.0 110.586 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.4 t -88.67 108.37 18.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HG2' ' HB ' ' A' ' 7' ' ' VAL . 4.7 ttmm -82.43 114.77 21.1 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.884 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.691 HG21 HG11 ' A' ' 60' ' ' VAL . 49.6 pt -104.82 170.7 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 CA-C-O 121.506 0.669 . . . . 0.0 111.922 -173.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.56 ' HB3' HG12 ' A' ' 54' ' ' VAL . 15.4 t70 -104.82 102.58 12.13 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.943 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -67.8 -2.38 7.07 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -89.04 -39.31 13.75 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.067 -0.396 . . . . 0.0 110.977 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.56 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.9 p -92.3 -27.09 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.31 -178.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.443 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 12.7 t -145.19 165.53 28.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.43 . . . . 0.0 111.159 -176.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.511 ' O ' HG12 ' A' ' 60' ' ' VAL . 95.1 m-20 -118.01 154.04 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.516 177.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.547 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 16.7 ttm-85 -45.96 -53.52 9.84 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.62 -43.4 80.47 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.102 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.53 -51.97 65.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.289 0.566 . . . . 0.0 110.832 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.691 HG11 HG21 ' A' ' 50' ' ' ILE . 13.2 p -68.98 -37.63 77.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.525 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 6.5 tm-20 -54.17 -46.98 72.46 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.461 ' HG3' ' NH2' ' A' ' 65' ' ' ARG . 8.3 tt0 -54.99 -44.25 74.3 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.613 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.06 79.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.69 -49.44 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.309 178.503 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' NH2' ' HG3' ' A' ' 62' ' ' GLN . 4.9 ppt_? -62.09 -36.62 82.26 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.17 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -65.09 -29.79 70.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.82 0.343 . . . . 0.0 111.707 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.49 61.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.961 0.41 . . . . 0.0 110.403 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.461 HD13 ' HD3' ' A' ' 15' ' ' PRO . 62.4 mt -95.47 -27.89 15.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 176.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.438 179.234 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.669 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 10.8 m . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 121.469 0.652 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.6 m -97.41 142.35 29.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.629 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -95.19 106.75 18.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.65 0.262 . . . . 0.0 110.699 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 9.3 mt -97.6 126.51 42.94 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' NH2' ' HB3' ' A' ' 43' ' ' GLU . 37.4 ttt180 -91.51 107.17 19.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.031 0.443 . . . . 0.0 110.222 175.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -93.57 128.09 45.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.892 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.83 108.64 10.0 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.507 HG23 ' HD2' ' A' ' 15' ' ' PRO . 69.4 mt -64.38 140.12 97.88 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.465 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 14' ' ' ILE . 16.9 Cg_exo -58.23 146.95 86.72 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.707 2.271 . . . . 0.0 110.544 175.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 -23.49 66.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.555 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.07 -37.86 17.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.021 0.438 . . . . 0.0 110.535 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.95 137.53 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.581 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.84 142.71 27.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.422 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -73.98 91.98 2.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.673 173.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -148.23 178.64 8.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.192 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.65 -28.97 70.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.203 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -58.8 -38.77 79.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.158 0.504 . . . . 0.0 110.532 176.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 tt -61.81 -43.56 98.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.449 0.643 . . . . 0.0 109.585 174.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.62 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 78.5 tttt -61.55 -52.89 62.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.56 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.3 m -63.86 -35.38 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -70.28 -38.06 74.99 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.273 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 33.7 mt -74.68 -29.72 61.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.036 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD11 ' HE2' ' A' ' 25' ' ' LYS . 20.0 mt -63.2 -8.51 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.69 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 24.1 mt-10 -104.08 19.99 19.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.704 0.287 . . . . 0.0 110.931 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.591 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 23.7 m -95.58 143.62 26.72 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -68.89 116.26 9.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.855 0.36 . . . . 0.0 110.893 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.483 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 107.43 9.46 29.15 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.328 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.591 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 29.8 m -86.06 159.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.296 0.57 . . . . 0.0 111.215 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -134.64 -35.86 0.87 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.982 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -168.89 140.51 2.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.703 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.62 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 95.3 t -122.51 129.73 75.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.065 0.46 . . . . 0.0 110.557 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.499 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.2 mp -109.03 141.04 41.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.931 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -102.69 132.73 48.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.117 0.484 . . . . 0.0 110.201 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.41 84.08 2.16 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.28 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.0 -43.4 81.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.143 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.75 -27.01 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.037 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.491 ' HB3' ' NH2' ' A' ' 11' ' ' ARG . 70.9 mm-40 -94.69 -12.21 27.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.295 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.432 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 17.3 t60 52.79 41.69 31.7 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.006 -169.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.439 ' HA ' HG13 ' A' ' 14' ' ' ILE . 21.2 m -138.55 167.72 21.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.373 -177.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -120.81 147.52 45.24 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 79.7 m-85 -113.57 104.1 11.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.386 0.612 . . . . 0.0 109.847 171.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.3 t -95.24 119.87 43.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.142 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -80.66 109.59 15.33 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.203 174.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.669 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.5 pt -105.2 160.48 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 CA-C-O 121.877 0.846 . . . . 0.0 112.478 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.469 ' HB3' HG12 ' A' ' 54' ' ' VAL . 9.9 t70 -92.22 92.71 8.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.23 173.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.2 p -66.87 -4.54 9.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.818 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -87.42 -26.64 23.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.731 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.469 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.6 p -104.15 -28.73 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.136 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.483 HG21 ' HA3' ' A' ' 33' ' ' GLY . 10.0 t -143.55 172.05 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.84 0.352 . . . . 0.0 111.038 -174.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.57 ' O ' HG12 ' A' ' 60' ' ' VAL . 22.4 m-80 -119.48 160.23 22.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 19.1 ttm180 -46.13 -54.13 9.16 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -70.46 -38.64 74.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.841 0.353 . . . . 0.0 111.342 -166.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.24 -47.25 62.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.221 0.534 . . . . 0.0 110.775 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 56' ' ' ASN . 14.5 p -71.66 -35.37 55.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.058 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.4 tm-20 -56.81 -43.67 81.22 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 48.9 tt0 -55.15 -46.46 75.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.139 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.86 96.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.976 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -61.32 -48.02 90.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.659 178.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -64.07 -34.31 77.75 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.302 -178.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 24.5 mt-30 -67.42 -28.13 67.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.815 0.341 . . . . 0.0 111.601 176.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.85 -21.08 61.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.392 0.615 . . . . 0.0 109.996 174.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.479 HD13 ' HD3' ' A' ' 15' ' ' PRO . 45.5 mt -92.78 -37.16 12.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.381 175.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.417 178.836 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 24.0 m . . . . . 0 N--CA 1.45 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 111.699 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.478 ' HB2' HG12 ' A' ' 50' ' ' ILE . 23.5 m -114.09 120.22 39.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 166.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -87.46 110.1 20.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.905 0.383 . . . . 0.0 110.447 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.2 mt -91.41 129.78 37.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.326 -177.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 11.0 ttp180 -89.77 102.86 15.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -91.9 128.9 43.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.974 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.91 112.34 17.11 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.462 HG23 ' HD2' ' A' ' 15' ' ' PRO . 84.9 mt -74.06 137.94 75.9 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.903 -176.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 14' ' ' ILE . 15.1 Cg_exo -60.5 136.75 69.51 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.708 2.272 . . . . 0.0 110.469 175.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.89 68.49 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.66 -29.37 45.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.146 0.498 . . . . 0.0 110.193 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.439 HD13 ' HB2' ' A' ' 15' ' ' PRO . 1.4 mp -81.54 139.96 17.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.851 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.52 143.43 26.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.115 0.483 . . . . 0.0 111.173 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -86.44 89.54 7.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.947 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -145.68 -173.02 4.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.14 -28.32 67.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.407 0.146 . . . . 0.0 111.025 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.92 80.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.338 0.589 . . . . 0.0 110.136 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 8.8 tt -64.4 -44.12 92.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.46 174.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.64 ' HE2' HD11 ' A' ' 29' ' ' LEU . 76.0 tttt -59.19 -53.72 55.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.485 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.94 -33.09 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 8.3 ptp180 -70.59 -37.45 73.92 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.064 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' O ' HG11 ' A' ' 34' ' ' VAL . 85.6 mt -76.91 -29.03 55.54 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.508 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.64 HD11 ' HE2' ' A' ' 25' ' ' LYS . 23.5 mt -61.84 -4.32 1.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.558 174.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -104.07 16.66 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.033 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.607 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 18.8 m -94.53 144.32 25.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.92 0.39 . . . . 0.0 110.343 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -61.27 101.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.091 -174.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.16 13.46 19.43 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.166 -0.54 . . . . 0.0 113.252 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.607 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.1 m -79.8 147.95 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 117.105 0.453 . . . . 0.0 111.551 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -121.11 -35.54 3.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.378 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -163.63 146.33 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.951 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.454 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 71.9 t -129.76 119.55 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tt -113.87 131.3 56.32 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.3 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.486 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.7 mp -90.17 125.28 43.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.961 0.41 . . . . 0.0 110.829 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.42 88.86 2.83 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -38.5 88.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.622 -170.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.06 -21.59 66.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.024 0.44 . . . . 0.0 111.058 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -101.85 -11.15 19.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.658 0.742 . . . . 0.0 109.973 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 50.63 40.55 24.15 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.484 -170.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.7 m -136.32 164.91 27.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.136 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -118.23 152.43 35.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.605 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 71.7 m-85 -115.31 103.92 11.3 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 171.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -101.22 113.71 38.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.265 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HD3' HG21 ' A' ' 7' ' ' VAL . 91.7 mttt -83.94 122.07 28.23 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.837 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 7.7 pt -105.29 152.7 7.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.482 -176.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.523 ' HB3' HG12 ' A' ' 54' ' ' VAL . 25.4 t70 -83.21 102.09 11.67 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 168.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -65.21 -6.27 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.061 -173.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -86.87 -46.1 10.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.666 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 51' ' ' ASP . 9.8 p -84.16 -29.12 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.463 -177.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 t -141.13 175.05 9.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.978 0.418 . . . . 0.0 111.099 -175.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.442 ' O ' HG12 ' A' ' 60' ' ' VAL . 96.1 m-20 -126.58 154.94 43.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.741 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 32.7 ttp180 -46.73 -53.8 11.03 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -70.24 -39.45 75.02 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.379 -0.529 . . . . 0.0 111.073 -169.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.3 -50.68 59.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.061 0.458 . . . . 0.0 111.222 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.49 ' O ' HD12 ' A' ' 64' ' ' ILE . 11.4 p -67.76 -37.51 78.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.083 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.685 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 1.5 tm-20 -55.3 -44.21 75.54 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.806 174.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.607 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 3.3 tp-100 -57.02 -46.24 82.49 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.074 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.25 96.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.635 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.5 OUTLIER -59.15 -49.08 84.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.536 178.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 7.6 ppt_? -60.67 -39.68 89.3 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.921 -178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.436 ' N ' ' HD2' ' A' ' 65' ' ' ARG . 23.9 mt-30 -63.87 -28.7 70.02 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.989 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.37 -22.13 61.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.187 0.518 . . . . 0.0 110.416 175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.5 mt -91.9 -32.73 15.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.457 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.57 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 27.1 m . . . . . 0 N--CA 1.446 -0.625 0 CA-C-O 121.229 0.538 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -134.51 119.05 18.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 p -82.94 111.17 18.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.084 0.469 . . . . 0.0 111.126 -175.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.572 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.5 mt -86.0 131.26 34.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.801 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 32.6 ttp180 -89.0 103.96 16.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 10' ' ' LEU . 3.9 mm -90.58 120.58 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.056 -177.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.99 108.57 10.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.277 0.56 . . . . 0.0 109.725 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' A' ' 15' ' ' PRO . 82.0 mt -72.67 140.94 81.88 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.619 -171.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 14' ' ' ILE . 24.3 Cg_exo -58.86 156.05 35.12 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.988 2.459 . . . . 0.0 111.789 174.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.01 -29.4 64.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.59 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -85.11 -39.35 18.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.02 135.7 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.564 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 133.25 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.998 0.427 . . . . 0.0 111.439 -177.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -71.57 83.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 171.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -145.1 178.5 8.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 -168.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.56 -28.06 69.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.88 0.371 . . . . 0.0 110.031 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.11 -41.51 83.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.355 0.598 . . . . 0.0 110.25 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.9 tt -63.01 -42.12 99.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.653 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.6 tttt -60.25 -53.1 61.75 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.371 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.8 m -65.1 -34.53 71.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -173.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -71.44 -36.33 71.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.749 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.0 mt -74.41 -29.82 61.67 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.585 0.231 . . . . 0.0 110.816 177.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.518 HD11 ' HE2' ' A' ' 25' ' ' LYS . 22.1 mt -65.63 -5.1 7.36 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.593 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 44.7 mt-10 -99.2 13.8 31.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 111.038 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.607 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 13.5 m -95.55 143.93 26.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -176.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -71.51 119.2 15.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.084 -0.385 . . . . 0.0 110.878 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.493 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 104.68 9.52 35.07 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.388 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.607 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.0 m -83.72 141.62 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.147 0.499 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 32.5 mmmt -117.46 -31.33 5.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.395 174.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -170.21 146.71 3.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.356 -175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.494 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 83.7 t -129.59 114.01 29.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.032 0.444 . . . . 0.0 110.045 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 6.8 tt -105.31 132.19 51.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.943 -178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -95.98 128.57 47.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.992 0.425 . . . . 0.0 110.257 176.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.18 87.19 2.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.588 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.504 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 39.8 mt-10 -61.24 -33.21 73.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.097 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.84 -29.61 70.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.556 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -95.81 -7.39 37.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.361 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.2 t60 53.26 34.7 18.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 122.019 0.914 . . . . 0.0 109.24 -171.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.425 ' HA ' HG13 ' A' ' 14' ' ' ILE . 15.7 m -143.28 159.57 42.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.922 -175.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -107.13 157.97 17.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.009 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.572 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 96.6 m-85 -121.89 103.36 8.79 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 171.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 37' ' ' VAL . 48.1 t -100.91 111.62 31.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.08 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 85.0 mttt -78.68 121.24 24.45 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.636 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 46.7 pt -103.82 156.42 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 CA-C-O 121.703 0.763 . . . . 0.0 111.096 -177.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.599 ' HB3' HG12 ' A' ' 54' ' ' VAL . 16.0 t70 -89.47 98.77 11.95 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.905 -1.498 . . . . 0.0 108.622 175.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 m -66.06 -6.72 13.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.925 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -88.08 -16.16 34.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.599 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.3 p -119.14 -33.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.493 HG21 ' HA3' ' A' ' 33' ' ' GLY . 12.2 t -134.65 -176.93 4.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.316 0.579 . . . . 0.0 112.11 -172.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.523 ' O ' HG12 ' A' ' 60' ' ' VAL . 29.9 t30 -138.97 142.48 38.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.136 -174.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 25.5 ttp180 -47.07 -54.83 9.47 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -172.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -64.57 -43.1 94.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.947 0.403 . . . . 0.0 110.968 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.16 -50.28 64.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.245 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.539 HG11 HG21 ' A' ' 50' ' ' ILE . 14.4 p -70.02 -33.58 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.382 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.638 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 7.3 tm-20 -55.87 -43.48 77.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.141 0.576 . . . . 0.0 109.81 174.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.56 -43.62 89.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.624 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.56 90.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.08 -41.31 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.28 174.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.62 -42.11 74.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.699 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -59.76 -35.09 73.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.031 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.18 -29.58 69.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.221 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.47 -26.75 30.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.81 0.338 . . . . 0.0 110.709 175.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.02 178.326 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.507 ' HB ' ' HG2' ' A' ' 49' ' ' LYS . 6.4 m . . . . . 0 N--CA 1.449 -0.52 0 CA-C-O 121.288 0.566 . . . . 0.0 111.766 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -124.7 120.74 32.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.466 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 m -89.76 111.17 22.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.069 0.462 . . . . 0.0 110.542 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.8 mt -88.05 131.57 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.289 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 53.1 ttp180 -93.78 107.36 19.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.032 0.444 . . . . 0.0 109.908 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -96.14 132.24 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.446 -176.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -79.82 108.84 13.7 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' A' ' 15' ' ' PRO . 83.7 mt -78.43 139.93 59.92 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.309 -175.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 14' ' ' ILE . 11.7 Cg_exo -57.72 134.65 64.29 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.373 2.048 . . . . 0.0 110.278 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.4 -25.58 66.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.665 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -80.91 -31.7 35.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.767 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.98 133.73 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.064 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.38 142.37 31.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.056 0.455 . . . . 0.0 111.186 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.34 90.22 7.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.872 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -141.74 -173.72 3.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -174.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.42 -30.0 71.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.565 0.222 . . . . 0.0 111.006 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.81 96.72 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.145 0.498 . . . . 0.0 110.315 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.4 tt -60.65 -44.72 96.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.772 174.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.604 ' HE2' HD11 ' A' ' 29' ' ' LEU . 82.3 tttt -58.07 -53.23 60.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.539 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.48 -36.56 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -173.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 27' ' ' ARG . 6.5 ptp180 -68.56 -35.34 77.27 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.449 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.586 ' O ' HG11 ' A' ' 34' ' ' VAL . 32.1 mt -76.12 -30.66 58.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.692 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD11 ' HE2' ' A' ' 25' ' ' LYS . 16.1 mt -63.77 -12.22 33.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.448 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -93.7 10.97 30.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.83 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.579 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 21.1 m -89.83 141.56 28.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.038 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.4 110.71 3.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.958 0.409 . . . . 0.0 111.168 -175.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 109.77 6.6 28.39 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.636 178.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.586 HG11 ' O ' ' A' ' 28' ' ' LEU . 33.2 m -78.38 144.64 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.998 0.427 . . . . 0.0 110.851 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -114.77 -34.37 5.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.237 173.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -169.53 140.89 2.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.925 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 25' ' ' LYS . 90.1 t -118.92 121.34 66.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.179 0.514 . . . . 0.0 110.598 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 6.7 mp -105.51 140.41 38.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.955 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.6 mp -103.98 131.29 53.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.074 174.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.26 85.5 2.24 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 170.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -62.07 -42.44 99.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.71 -169.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -66.19 -28.61 68.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.695 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.66 -15.46 30.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.039 0.447 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.441 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 4.1 t60 60.9 39.17 17.12 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.357 -174.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.4 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.4 t -139.02 160.52 39.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.965 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -120.0 149.77 41.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.075 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.575 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 90.3 m-85 -116.56 103.7 10.67 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 172.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.474 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 61.5 t -97.86 109.26 23.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.424 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HG2' ' HB ' ' A' ' 7' ' ' VAL . 15.7 ttmm -80.08 116.5 20.23 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.452 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.622 HG21 HG11 ' A' ' 60' ' ' VAL . 5.5 pt -106.05 169.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.697 0.76 . . . . 0.0 112.386 -176.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.539 ' HB3' HG12 ' A' ' 54' ' ' VAL . 11.5 t70 -99.21 96.76 7.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.355 172.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.609 ' HA ' ' O ' ' A' ' 55' ' ' THR . 60.7 p -66.44 -6.31 14.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -172.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -80.95 -43.13 20.19 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.8 p -86.33 -31.35 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.609 ' O ' ' HA ' ' A' ' 52' ' ' SER . 12.7 t -147.51 154.95 41.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.504 0.192 . . . . 0.0 110.632 -174.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.585 ' O ' HG12 ' A' ' 60' ' ' VAL . 29.5 m-80 -105.3 161.23 14.47 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG3' HD13 ' A' ' 10' ' ' LEU . 48.5 ttp180 -46.68 -52.51 13.64 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -52.06 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.464 -167.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 11.5 pt-20 -58.29 -46.92 85.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.187 0.517 . . . . 0.0 111.195 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.622 HG11 HG21 ' A' ' 50' ' ' ILE . 12.4 p -74.04 -35.35 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.496 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -45.36 78.23 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.26 0.624 . . . . 0.0 109.846 173.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 61.3 tt0 -55.02 -48.83 72.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.321 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.88 90.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.249 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -62.03 -49.47 83.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.462 178.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -66.15 -35.24 79.96 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.263 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 99.0 mt-30 -64.79 -27.86 69.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.911 0.386 . . . . 0.0 111.443 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.24 -21.36 62.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.3 mt -93.16 -32.31 14.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.436 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.417 -178.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.704 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 34.7 m . . . . . 0 N--CA 1.445 -0.691 0 CA-C-O 121.394 0.616 . . . . 0.0 112.226 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 21.4 t -133.95 125.72 28.83 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -87.62 108.45 19.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.217 0.532 . . . . 0.0 110.977 -175.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.4 mt -95.17 129.41 42.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.063 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 11' ' ' ARG . 41.8 ttm180 -95.22 109.26 21.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.749 0.309 . . . . 0.0 110.192 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -103.74 138.27 28.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.578 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -77.87 118.08 19.85 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' A' ' 45' ' ' SER . 97.3 mt -80.91 136.56 50.75 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.776 0.322 . . . . 0.0 111.274 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.436 ' HD3' HD13 ' A' ' 68' ' ' LEU . 12.4 Cg_exo -63.26 151.01 86.98 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.892 2.395 . . . . 0.0 111.384 176.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.62 -24.53 56.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.061 0.457 . . . . 0.0 110.819 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.04 -29.37 31.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.781 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -86.4 131.98 33.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.86 131.08 38.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.159 0.505 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.64 91.38 6.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.45 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -164.61 -166.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.69 -29.51 53.22 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.615 0.245 . . . . 0.0 111.488 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.09 93.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.13 0.49 . . . . 0.0 110.887 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.3 tt -66.44 -38.74 88.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.482 0.658 . . . . 0.0 109.538 175.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 79.7 tttt -60.0 -53.12 61.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.983 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.13 -35.83 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -174.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 10.8 ptp180 -67.15 -39.82 86.6 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.426 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.517 ' HB2' HG21 ' A' ' 37' ' ' VAL . 36.2 mt -76.07 -29.75 58.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.253 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.515 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.6 mt -59.21 -21.61 59.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.605 0.24 . . . . 0.0 111.462 176.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.06 14.68 5.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.393 . . . . 0.0 111.502 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.9 m -98.65 136.91 38.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.15 117.24 6.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.785 -173.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.63 3.21 43.44 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.529 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.52 130.23 36.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 117.172 0.486 . . . . 0.0 111.122 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -96.25 -41.23 8.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.055 175.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -165.63 140.73 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.328 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.534 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 58.9 t -114.89 122.25 68.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.483 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 8.6 mp -103.38 140.36 37.55 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.789 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.93 127.31 64.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 173.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.69 91.65 3.64 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.668 173.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -17.94 63.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.824 0.345 . . . . 0.0 110.692 -177.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.84 -40.03 91.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.467 0.651 . . . . 0.0 109.79 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -103.82 -3.56 24.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.546 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.9 t60 51.2 42.28 28.66 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.62 -172.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.436 ' HA ' HG13 ' A' ' 14' ' ' ILE . 19.8 m -139.4 158.56 43.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.849 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.65 140.45 40.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.496 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 67.4 m-85 -106.88 102.79 12.13 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 169.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.48 HG13 HG22 ' A' ' 37' ' ' VAL . 28.6 t -96.54 112.11 28.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.951 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 8' ' ' SER . 63.0 mttm -84.09 116.91 23.11 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.736 HG21 HG11 ' A' ' 60' ' ' VAL . 33.7 pt -104.51 166.26 3.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.365 0.602 . . . . 0.0 111.15 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.515 ' HB3' HG12 ' A' ' 54' ' ' VAL . 14.1 t70 -92.39 102.98 15.46 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.635 174.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 m -69.24 -1.89 9.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.926 -172.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 5.3 mmpt? -89.08 -34.6 16.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.653 0.264 . . . . 0.0 110.887 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.515 HG12 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -96.08 -32.91 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.652 -177.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 t -141.84 169.58 17.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.669 0.271 . . . . 0.0 110.849 -173.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.532 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -121.04 154.79 35.61 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.726 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 23.5 ttp180 -46.97 -54.41 10.18 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -175.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.94 -42.07 97.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.709 0.231 . . . . 0.0 111.403 -168.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 11.5 pt-20 -69.54 -45.67 68.26 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.386 0.613 . . . . 0.0 110.938 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.736 HG11 HG21 ' A' ' 50' ' ' ILE . 13.9 p -73.42 -33.91 41.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.023 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 1.9 tm-20 -56.26 -44.41 79.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.865 174.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 36.2 tt0 -55.9 -47.85 76.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.338 174.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.51 80.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.374 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -65.08 -47.68 86.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.469 178.343 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -63.5 -34.78 78.53 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.224 -179.031 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.429 ' HG3' ' HD3' ' A' ' 65' ' ' ARG . 54.1 mt-30 -65.43 -34.17 77.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.598 176.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.63 64.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.0 0.428 . . . . 0.0 110.191 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.436 HD13 ' HD3' ' A' ' 15' ' ' PRO . 62.8 mt -91.0 -24.68 20.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.258 175.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.447 177.484 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.593 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 26.7 m . . . . . 0 N--CA 1.448 -0.56 0 CA-C-O 121.478 0.656 . . . . 0.0 112.105 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' HG12 ' A' ' 50' ' ' ILE . 5.0 m -109.72 122.65 47.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 p -88.01 98.3 11.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.856 0.36 . . . . 0.0 111.123 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 11.2 mt -79.03 125.95 30.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.973 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -82.75 98.88 9.32 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 174.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 10' ' ' LEU . 8.8 mm -89.95 133.57 31.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.182 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.59 119.24 20.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.152 0.501 . . . . 0.0 110.361 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 15' ' ' PRO . 57.2 mt -73.03 139.64 79.83 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.581 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD3' HD13 ' A' ' 68' ' ' LEU . 23.5 Cg_exo -58.24 158.05 23.68 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.901 2.4 . . . . 0.0 111.557 174.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.26 90.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.63 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -87.17 -20.22 27.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.195 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mp -82.35 138.52 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.696 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.52 145.89 24.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.037 0.446 . . . . 0.0 111.149 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.71 90.99 4.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.753 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -161.27 -176.7 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.049 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 43.8 tt0 -58.32 -28.13 64.77 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -175.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.77 81.14 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.118 0.485 . . . . 0.0 110.684 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.6 tt -64.52 -40.79 96.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.437 175.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HE2' HD11 ' A' ' 29' ' ' LEU . 77.9 tttt -59.66 -53.13 61.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.191 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.17 -33.12 61.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HD2' HD23 ' A' ' 68' ' ' LEU . 13.0 ptp180 -74.54 -35.0 63.1 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.841 178.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.9 mt -75.5 -28.74 59.29 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.277 -0.264 . . . . 0.0 110.906 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 HD11 ' HE2' ' A' ' 25' ' ' LYS . 23.0 mt -62.33 -10.49 11.3 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.72 0.295 . . . . 0.0 111.568 175.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 27' ' ' ARG . 35.5 mt-10 -90.93 19.76 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.161 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.719 ' O ' HG22 ' A' ' 34' ' ' VAL . 19.7 m -106.74 143.95 34.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.67 0.272 . . . . 0.0 110.935 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.95 112.39 4.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.637 0.256 . . . . 0.0 110.459 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.48 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 110.28 -2.67 29.67 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.315 176.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 31' ' ' THR . 22.5 m -79.49 132.33 32.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 117.416 0.608 . . . . 0.0 111.21 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 66.1 mmtt -103.84 -34.94 8.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.319 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -168.32 140.69 2.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.391 -174.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.537 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 60.3 t -119.77 121.42 66.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.134 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 tt -110.78 114.41 27.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.276 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.22 131.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.188 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.66 84.32 2.04 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.52 -41.93 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.715 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.99 -39.64 78.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 111.396 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.48 -1.74 57.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.403 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 22.1 t60 52.58 39.4 28.05 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 122.02 0.914 . . . . 0.0 108.813 -171.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.6 m -134.12 175.04 9.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.844 -176.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -145.91 127.86 15.48 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 33.6 m-85 -87.61 104.78 16.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.405 0.621 . . . . 0.0 110.614 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.443 HG22 HG13 ' A' ' 37' ' ' VAL . 60.7 t -94.49 114.79 31.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.071 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 92.5 mttt -81.09 122.0 26.8 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.869 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 1.3 pt -104.14 147.44 10.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.603 -175.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.491 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 21.7 t70 -85.41 99.51 11.24 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.596 171.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 m -67.29 0.8 2.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.967 -174.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 3.2 mmmp? -88.47 -43.93 11.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.702 0.287 . . . . 0.0 110.476 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 51' ' ' ASP . 9.7 p -93.32 -26.83 4.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.685 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.506 ' OG1' ' HB ' ' A' ' 60' ' ' VAL . 14.8 t -142.63 169.04 18.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.733 0.301 . . . . 0.0 110.986 -174.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.479 ' O ' HG12 ' A' ' 60' ' ' VAL . 29.6 m-80 -123.68 163.75 20.47 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.678 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 12.2 ttm180 -46.53 -52.37 13.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.747 0.654 . . . . 0.0 112.577 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -70.4 -48.2 57.26 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.47 -167.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.47 -43.3 90.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.08 0.467 . . . . 0.0 111.13 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.545 ' O ' HD12 ' A' ' 64' ' ' ILE . 7.3 p -69.89 -38.79 76.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.985 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.678 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 2.6 tm-20 -53.23 -44.72 68.29 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.271 0.629 . . . . 0.0 109.593 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 47.1 tt0 -55.81 -49.15 74.02 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.2 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.84 78.97 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.056 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.76 -49.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.332 177.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.495 ' HD3' ' HG3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -64.65 -31.97 73.43 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.64 -179.065 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.495 ' HG3' ' HD3' ' A' ' 65' ' ' ARG . 29.4 mt-30 -65.65 -33.17 75.28 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.659 0.266 . . . . 0.0 111.418 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.4 65.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.091 0.472 . . . . 0.0 110.663 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 ' HD2' ' A' ' 27' ' ' ARG . 38.1 mt -98.68 -23.47 15.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.801 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.011 -177.582 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.641 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 30.4 m . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.424 ' HB2' HG12 ' A' ' 50' ' ' ILE . 13.3 m -135.39 117.56 15.49 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 167.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -82.44 98.98 9.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.857 0.361 . . . . 0.0 110.984 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.606 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.0 mt -87.82 137.18 32.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.814 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -103.48 101.52 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.9 0.381 . . . . 0.0 110.088 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -91.43 138.16 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.951 -178.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.59 108.77 16.22 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.452 HG23 ' HD2' ' A' ' 15' ' ' PRO . 79.5 mt -66.65 140.05 96.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.78 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 14' ' ' ILE . 13.6 Cg_exo -62.12 150.44 86.65 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.609 2.206 . . . . 0.0 110.754 173.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.67 57.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.872 0.368 . . . . 0.0 111.283 -177.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.77 -30.59 20.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.419 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -80.49 134.17 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.934 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.65 138.73 41.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.251 0.548 . . . . 0.0 111.473 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.53 92.73 9.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.878 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -159.79 -174.56 4.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.811 -176.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 45.0 tt0 -59.28 -28.73 67.01 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.608 0.242 . . . . 0.0 111.261 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.45 85.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.073 0.463 . . . . 0.0 110.606 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.46 -39.73 94.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.299 0.571 . . . . 0.0 109.657 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.638 ' HE2' HD11 ' A' ' 29' ' ' LEU . 78.3 tttt -61.21 -53.43 56.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.0 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 m -64.88 -32.34 57.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.008 -174.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 8.7 ptp180 -71.21 -37.76 72.07 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.3 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 85.2 mt -77.12 -28.55 54.42 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.629 0.252 . . . . 0.0 111.139 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.638 HD11 ' HE2' ' A' ' 25' ' ' LYS . 25.7 mt -63.2 -4.71 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.506 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.68 19.38 12.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.625 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.614 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 15.1 m -98.23 143.65 28.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.69 115.71 11.2 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.077 0.465 . . . . 0.0 109.899 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 102.34 21.86 10.33 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.611 177.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.614 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 31.2 m -88.2 144.43 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.192 0.52 . . . . 0.0 111.433 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -114.89 -44.5 3.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.684 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.564 ' OE2' ' HE3' ' A' ' 25' ' ' LYS . 9.9 tp10 -161.21 146.92 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.037 -174.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.546 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 67.5 t -127.78 112.3 27.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 177.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 10.5 tt -106.45 121.64 44.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.61 121.61 37.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.014 0.435 . . . . 0.0 109.903 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.62 94.77 5.0 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.312 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -22.07 62.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.957 0.408 . . . . 0.0 110.908 -176.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.53 -18.67 65.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.128 0.49 . . . . 0.0 110.294 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -111.32 -12.03 14.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.136 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.417 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 42.7 t60 48.66 41.95 18.57 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.74 -165.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -135.81 160.76 37.56 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.163 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -112.58 122.49 47.84 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.322 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 41.7 m-85 -89.06 101.72 14.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.558 0.694 . . . . 0.0 109.133 171.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.497 HG13 HG22 ' A' ' 37' ' ' VAL . 27.4 t -100.46 109.8 25.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.509 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 84.3 mttt -84.94 118.3 24.46 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.702 HG21 HG11 ' A' ' 60' ' ' VAL . 45.5 pt -104.22 169.01 2.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.761 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 53' ' ' LYS . 15.4 t70 -97.95 103.8 15.77 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.244 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.9 t -66.05 -12.82 57.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.724 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.544 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 12.3 mmmm -76.57 -39.89 51.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.99 0.424 . . . . 0.0 110.582 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 51' ' ' ASP . 10.3 p -99.81 -28.37 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.413 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 14.5 t -141.85 177.92 7.86 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.028 0.442 . . . . 0.0 111.74 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.504 ' O ' HG12 ' A' ' 60' ' ' VAL . 55.8 t30 -132.28 146.35 51.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.841 -176.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.602 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 41.0 ttp180 -46.4 -55.19 7.73 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -172.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -66.75 -41.74 87.31 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.793 -172.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.4 -52.62 62.87 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.562 0.696 . . . . 0.0 110.723 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.702 HG11 HG21 ' A' ' 50' ' ' ILE . 12.8 p -69.91 -35.21 63.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.75 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.602 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.2 tm-20 -53.86 -45.59 71.01 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.14 0.576 . . . . 0.0 109.888 174.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 62.3 tt0 -59.42 -43.04 93.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.234 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.02 96.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.134 0.492 . . . . 0.0 110.765 175.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -60.56 -49.36 84.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.695 178.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -61.4 -36.08 79.31 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.332 -178.54 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.516 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 28.5 mt-30 -62.08 -35.0 77.34 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -21.75 66.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.889 0.376 . . . . 0.0 110.955 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.4 mt -98.75 -24.44 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.966 -175.729 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.68 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 19.6 m . . . . . 0 N--CA 1.448 -0.575 0 CA-C-O 121.498 0.666 . . . . 0.0 111.957 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 t -130.2 127.34 39.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -87.26 114.7 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.533 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.3 mt -94.23 134.22 36.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.64 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 11' ' ' ARG . 43.0 ttm180 -97.22 100.22 11.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 mm -90.93 127.09 43.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.336 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.04 118.26 18.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.27 0.557 . . . . 0.0 109.724 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.456 HG23 ' HD2' ' A' ' 15' ' ' PRO . 75.8 mt -87.68 140.54 31.56 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.169 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.469 ' HD3' HD13 ' A' ' 68' ' ' LEU . 13.4 Cg_exo -60.06 141.52 96.46 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.439 2.093 . . . . 0.0 110.638 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.68 -27.02 67.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.988 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -77.68 -40.06 42.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.633 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.45 126.1 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.006 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.43 137.78 46.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.122 0.487 . . . . 0.0 111.257 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.577 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -85.26 99.18 10.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.72 175.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -155.86 -169.61 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.831 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.69 -30.61 70.85 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -40.76 86.57 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.337 0.589 . . . . 0.0 110.73 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.658 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.2 tt -62.04 -45.45 93.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.402 174.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.596 ' HE2' HD11 ' A' ' 29' ' ' LEU . 81.6 tttt -58.06 -53.55 57.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.686 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -66.38 -33.21 61.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 20.6 ptp180 -73.17 -34.86 66.27 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.301 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.2 mt -74.21 -29.85 61.92 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.623 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.596 HD11 ' HE2' ' A' ' 25' ' ' LYS . 19.5 mt -64.62 -8.62 14.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.733 177.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -98.15 11.05 39.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.587 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 7.0 m -93.25 145.3 24.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.196 -0.315 . . . . 0.0 110.177 -175.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.19 117.66 8.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.864 0.364 . . . . 0.0 111.458 -174.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.39 6.46 55.19 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.702 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.613 HG11 ' O ' ' A' ' 28' ' ' LEU . 23.1 m -78.86 138.34 20.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.071 0.463 . . . . 0.0 110.679 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -115.12 -28.77 6.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.209 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 49' ' ' LYS . 9.4 tt0 -169.93 143.38 2.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.196 -175.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 48' ' ' VAL . 86.4 t -127.81 125.18 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.795 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.17 140.56 42.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.501 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.02 127.77 53.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.36 86.82 2.63 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.41 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.577 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.13 -25.7 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.652 -174.027 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.89 -27.03 64.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.025 0.441 . . . . 0.0 110.147 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -98.82 -6.45 29.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.405 0.621 . . . . 0.0 109.672 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.2 t60 47.8 41.34 14.04 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.639 -170.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.408 ' HA ' HG13 ' A' ' 14' ' ' ILE . 42.1 m -141.23 164.09 31.2 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.203 -176.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.81 142.02 39.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.183 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 67.4 m-85 -106.91 103.54 13.0 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 171.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.471 HG13 HG22 ' A' ' 37' ' ' VAL . 26.1 t -98.61 122.61 50.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.893 -175.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 28.1 mmtp -83.33 109.46 17.3 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.641 176.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.68 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 32.4 pt -105.35 161.34 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 CA-C-O 121.503 0.668 . . . . 0.0 111.387 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.488 ' HB3' HG12 ' A' ' 54' ' ' VAL . 14.5 t70 -96.37 104.72 16.71 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.613 173.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 m -69.78 -2.33 11.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -172.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -89.13 -41.74 12.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.796 0.332 . . . . 0.0 110.447 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.3 p -91.09 -26.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.763 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 t -137.31 179.45 6.39 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.285 0.564 . . . . 0.0 111.455 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.492 ' O ' HG12 ' A' ' 60' ' ' VAL . 49.1 t30 -136.49 145.03 44.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.826 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.595 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 38.3 ttp180 -45.74 -54.31 8.1 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -173.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.94 -42.74 89.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.096 0.407 . . . . 0.0 111.033 -174.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.75 -52.83 63.44 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.521 0.677 . . . . 0.0 110.976 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.566 HG11 HG21 ' A' ' 50' ' ' ILE . 14.4 p -70.85 -35.62 60.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.341 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.595 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 7.5 tm-20 -56.37 -45.81 80.34 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 7.3 tp60 -54.59 -44.86 73.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.193 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.48 92.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.735 0.302 . . . . 0.0 110.948 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.25 -48.77 87.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.71 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.522 ' HD2' ' OE1' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.39 -31.68 72.91 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.342 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 48.2 mt-30 -65.69 -30.5 71.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.741 0.305 . . . . 0.0 111.47 175.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.93 -21.25 66.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.343 0.592 . . . . 0.0 110.184 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.469 HD13 ' HD3' ' A' ' 15' ' ' PRO . 50.4 mt -91.91 -33.52 14.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.38 175.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 66' ' ' GLN . 72.5 mm-40 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.699 -0.667 . . . . 0.0 111.421 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 20.9 m . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 121.054 0.454 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -123.42 120.15 32.13 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -79.96 105.62 11.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.003 0.43 . . . . 0.0 110.977 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.432 HD22 ' HG3' ' A' ' 57' ' ' ARG . 11.1 mt -92.66 129.36 38.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -91.81 107.22 19.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mm -90.58 124.07 43.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -76.73 108.32 9.66 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 15' ' ' PRO . 85.5 mt -78.99 140.2 57.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.412 -171.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HD2' HG23 ' A' ' 14' ' ' ILE . 14.2 Cg_exo -59.9 150.94 75.0 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.694 2.263 . . . . 0.0 110.988 175.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.35 -31.67 64.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.211 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -77.72 -37.16 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.644 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.402 HG21 HD12 ' A' ' 68' ' ' LEU . 1.6 mp -72.83 133.17 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.901 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.23 135.01 35.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.099 0.476 . . . . 0.0 111.112 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.581 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -85.69 91.9 8.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.933 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -152.54 -172.77 4.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.289 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 36.6 tt0 -57.58 -30.27 65.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -62.26 -36.66 82.73 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.168 0.509 . . . . 0.0 110.682 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.4 tt -65.6 -39.1 91.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.637 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.1 tttt -61.67 -52.98 62.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.845 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 23' ' ' ALA . 26.3 m -64.0 -32.9 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -72.66 -38.08 67.75 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.527 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 29.8 mt -73.94 -29.77 62.2 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.482 0.182 . . . . 0.0 111.073 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.637 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.4 mt -64.69 -4.9 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -98.03 5.66 48.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.644 0.259 . . . . 0.0 111.082 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.597 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 21.6 m -85.2 144.71 27.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.774 0.321 . . . . 0.0 110.376 -174.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.98 109.13 2.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.901 0.382 . . . . 0.0 111.454 -176.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.455 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 104.08 24.17 7.75 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.597 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 27.2 m -91.53 138.09 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.279 0.561 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -113.12 -36.85 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.994 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -168.23 142.49 3.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.58 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.536 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 94.2 t -129.68 121.72 53.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.08 0.467 . . . . 0.0 110.56 -178.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 11.0 mp -109.37 133.35 53.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.05 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -94.75 128.32 46.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 171.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.43 87.62 2.7 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.554 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 1.3 tm-20 -64.96 -26.92 68.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.874 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.82 -34.03 73.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.704 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -100.07 -7.2 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.857 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.9 t60 50.45 40.34 22.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.644 -169.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.414 ' HA ' HG13 ' A' ' 14' ' ' ILE . 18.4 m -137.73 159.4 42.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.674 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.97 133.54 53.07 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.49 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.442 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 62.0 m-85 -99.99 102.8 14.27 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.351 174.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -101.24 111.79 32.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.046 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -80.3 118.9 22.37 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.703 HG21 HG11 ' A' ' 60' ' ' VAL . 42.7 pt -104.15 168.14 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.756 0 CA-C-O 121.42 0.629 . . . . 0.0 111.599 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.534 ' OD2' ' HB2' ' A' ' 53' ' ' LYS . 33.2 t70 -96.03 104.32 16.26 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.211 -1.359 . . . . 0.0 109.5 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -71.79 3.43 4.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.189 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 11.6 mmmm -88.66 -47.31 8.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.912 0.387 . . . . 0.0 110.568 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -91.31 -35.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.455 HG21 ' HA3' ' A' ' 33' ' ' GLY . 15.2 t -136.18 170.35 16.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.009 0.433 . . . . 0.0 111.58 -170.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.525 ' O ' HG12 ' A' ' 60' ' ' VAL . 19.0 m-80 -118.24 159.19 23.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.486 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.594 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 55.8 ttp180 -47.19 -52.7 15.04 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -175.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -76.28 -39.19 54.9 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.003 -167.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.74 -49.96 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.308 0.575 . . . . 0.0 110.276 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.703 HG11 HG21 ' A' ' 50' ' ' ILE . 13.1 p -71.82 -36.59 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.642 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.594 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 5.1 tm-20 -58.3 -46.74 85.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.874 0.369 . . . . 0.0 110.007 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.93 -39.77 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.384 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.26 93.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.563 176.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.25 -42.56 93.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.009 173.56 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' NE ' ' HG3' ' A' ' 69' ' ' GLU . 1.9 tmt_? -56.73 -42.08 78.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.409 176.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.17 -33.86 74.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.155 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.09 -21.76 64.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.848 0.356 . . . . 0.0 111.21 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD12 HG21 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -91.91 -19.85 22.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.273 173.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG3' ' NE ' ' A' ' 65' ' ' ARG . 14.7 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.745 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.7 m . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 121.442 0.639 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -82.38 105.04 13.12 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -77.74 109.77 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.998 0.427 . . . . 0.0 110.771 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.664 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 5.6 mt -85.79 157.51 20.22 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -122.15 98.78 6.09 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.2 mm -89.8 133.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.484 -173.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -76.68 110.23 11.09 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.428 ' HB ' ' CD2' ' A' ' 44' ' ' HIS . 63.6 mt -69.44 136.93 88.54 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.316 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.2 Cg_exo -57.64 152.32 49.36 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.632 2.221 . . . . 0.0 111.017 175.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.11 77.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.303 0.573 . . . . 0.0 111.027 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -86.39 -36.94 18.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.006 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.22 132.19 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.79 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.43 142.9 38.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.232 0.539 . . . . 0.0 111.69 -176.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.29 86.9 7.14 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.036 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -155.0 -168.16 2.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.567 -174.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.78 -27.99 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.536 0.208 . . . . 0.0 111.005 -177.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.46 88.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.17 0.51 . . . . 0.0 110.562 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.532 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.2 tt -66.29 -42.4 88.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.63 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HE2' HD11 ' A' ' 29' ' ' LEU . 77.8 tttt -58.49 -53.36 59.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.342 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.3 -32.11 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 -173.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -69.4 -38.9 78.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.116 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 32.4 mt -76.13 -29.58 57.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.965 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.608 HD11 ' HE2' ' A' ' 25' ' ' LYS . 19.4 mt -61.3 -12.63 14.36 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.714 0.293 . . . . 0.0 111.547 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -96.86 12.81 30.86 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.719 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.1 m -95.84 143.09 27.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -63.94 111.76 2.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.889 0.376 . . . . 0.0 111.684 -174.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.478 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 106.36 1.05 37.93 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.205 175.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 31' ' ' THR . 28.4 m -78.33 129.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 117.304 0.552 . . . . 0.0 111.016 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 31.9 mmmt -105.56 -25.31 12.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -169.49 142.22 2.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.041 -172.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 25' ' ' LYS . 50.5 t -131.62 114.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 7.9 tt -113.46 117.09 30.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.49 -175.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.0 123.26 33.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.169 0.509 . . . . 0.0 110.473 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.48 95.79 5.79 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -31.13 65.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.08 -172.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.25 -43.13 99.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.55 -18.1 58.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.761 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.428 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 29.9 t60 53.08 41.79 32.17 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -167.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.408 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.9 m -136.68 163.49 30.46 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.478 -175.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.449 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -115.67 125.31 52.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.419 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.664 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 70.7 m-85 -89.28 103.06 15.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.495 0.664 . . . . 0.0 109.342 173.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.465 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 54.9 t -104.86 109.47 27.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.807 -177.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.475 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 90.9 mttt -83.99 118.86 24.31 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.615 HG21 HG11 ' A' ' 60' ' ' VAL . 2.2 pt -105.28 162.4 4.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-O 121.57 0.7 . . . . 0.0 110.858 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.57 ' HB3' HG12 ' A' ' 54' ' ' VAL . 19.7 t70 -93.13 97.55 10.74 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.619 174.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' THR . 37.1 p -68.24 0.79 3.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.879 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 31.4 mmmt -88.81 -36.1 16.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.252 176.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.57 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.5 p -95.49 -30.37 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.011 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.478 HG21 ' HA3' ' A' ' 33' ' ' GLY . 11.3 t -140.69 179.24 6.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 111.021 -175.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.571 ' O ' HG12 ' A' ' 60' ' ' VAL . 54.6 t30 -128.43 143.91 51.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -178.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.79 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 20.5 ttp180 -45.72 -54.44 7.87 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.511 0.507 . . . . 0.0 111.986 -176.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -47.11 87.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.6 0.238 . . . . 0.0 111.367 -173.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.28 -53.58 50.56 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.393 0.616 . . . . 0.0 111.006 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.615 HG11 HG21 ' A' ' 50' ' ' ILE . 14.8 p -69.36 -33.9 59.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.533 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.79 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.8 tm-20 -54.4 -48.28 71.77 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.414 0.686 . . . . 0.0 110.241 176.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.56 -37.54 87.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.476 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.73 88.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.585 175.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.567 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.8 OUTLIER -62.74 -43.56 98.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.209 173.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -57.88 -39.46 77.9 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -65.62 -34.2 77.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.342 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.62 -21.79 62.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.457 . . . . 0.0 110.539 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 15' ' ' PRO . 71.1 mt -88.9 -35.74 16.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.193 174.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.561 178.75 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.0 m . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 121.533 0.682 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.463 ' HB3' HG12 ' A' ' 50' ' ' ILE . 36.4 t -133.99 111.06 10.1 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 168.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -77.93 114.93 17.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.921 0.391 . . . . 0.0 110.753 -176.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.654 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.2 mt -82.44 162.71 22.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.761 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -122.69 97.62 5.54 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -90.79 126.4 43.54 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.464 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 8.0 pt-20 -75.64 113.9 13.61 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.516 HG23 ' HD2' ' A' ' 15' ' ' PRO . 91.5 mt -79.69 141.3 55.72 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.737 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 14' ' ' ILE . 17.8 Cg_exo -58.31 143.57 97.16 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.304 2.003 . . . . 0.0 110.855 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -19.63 64.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.11 0.481 . . . . 0.0 110.973 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -83.1 -40.91 19.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.68 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.17 134.93 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.549 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.12 132.9 35.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.12 0.486 . . . . 0.0 110.862 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -81.01 94.68 6.61 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.257 177.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -157.28 -171.1 3.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.706 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 42.0 tt0 -58.22 -30.47 66.52 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.11 89.95 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.232 0.539 . . . . 0.0 110.477 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.1 tt -62.74 -39.96 95.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.617 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.665 ' HE2' HD11 ' A' ' 29' ' ' LEU . 77.0 tttt -60.83 -53.3 58.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.364 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.87 -34.96 73.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -70.65 -38.64 73.85 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.702 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.6 mt -73.62 -30.02 62.72 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.577 0.227 . . . . 0.0 110.934 177.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.665 HD11 ' HE2' ' A' ' 25' ' ' LYS . 23.5 mt -60.47 -23.66 64.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.612 0.244 . . . . 0.0 111.105 175.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -85.56 13.86 6.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.768 0.318 . . . . 0.0 111.475 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.6 m -98.26 135.71 39.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.63 115.95 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.556 -173.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.459 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 106.4 -2.9 37.13 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.694 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -78.86 122.41 33.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.839 0.352 . . . . 0.0 111.363 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -94.22 -31.35 14.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.594 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -168.14 146.23 4.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.985 -174.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.553 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 96.0 t -130.0 113.67 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.062 0.458 . . . . 0.0 109.784 178.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 7.2 tt -106.83 119.07 38.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.046 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.412 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.7 mp -80.03 118.55 27.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.078 0.466 . . . . 0.0 110.06 177.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.35 87.93 3.76 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 172.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.64 -33.66 76.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.87 -172.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.23 -23.44 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.046 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -101.18 -13.41 18.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.412 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.1 t60 55.71 39.75 30.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.921 -171.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.403 ' HA ' HG13 ' A' ' 14' ' ' ILE . 28.3 t -142.76 159.92 41.32 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.648 -174.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.63 127.75 55.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.852 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 15.0 m-85 -91.85 103.17 15.75 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.2 t -105.13 111.44 34.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.565 -174.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -79.87 121.78 25.85 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.071 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 26.6 pt -104.69 149.97 7.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.639 -178.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.526 ' HB3' HG12 ' A' ' 54' ' ' VAL . 13.6 t70 -86.3 106.25 17.23 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.692 171.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -68.13 -4.83 15.01 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -173.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -89.18 -39.18 13.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.57 0.224 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 51' ' ' ASP . 12.3 p -92.63 -30.87 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.587 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.459 HG21 ' HA3' ' A' ' 33' ' ' GLY . 11.8 t -139.08 -174.93 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.162 0.506 . . . . 0.0 111.673 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 60' ' ' VAL . 48.8 t30 -141.67 151.18 42.79 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.759 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 4.7 ttp180 -47.48 -55.52 8.91 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -62.12 -41.49 98.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 -173.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -65.44 -53.54 41.48 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.452 0.644 . . . . 0.0 110.953 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.566 ' O ' HD12 ' A' ' 64' ' ' ILE . 14.1 p -69.68 -35.47 65.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.067 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.759 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -54.8 -45.01 74.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.53 0.732 . . . . 0.0 109.911 175.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.619 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 7.9 tt0 -56.77 -48.72 77.23 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.092 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.73 79.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.31 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -63.62 -48.44 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.594 178.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.1 ppt_? -64.29 -35.73 81.78 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 120.421 -0.511 . . . . 0.0 111.427 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -64.76 -33.47 76.06 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.565 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.01 -21.83 65.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.138 0.494 . . . . 0.0 110.562 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.7 mt -94.24 -29.11 15.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.476 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.704 -178.45 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 20.6 m . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 121.114 0.483 . . . . 0.0 111.604 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.466 ' HB2' HG12 ' A' ' 50' ' ' ILE . 10.4 m -124.44 116.68 22.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 167.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 m -81.45 100.61 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.178 0.513 . . . . 0.0 110.905 -177.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.613 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.6 mt -79.65 149.47 31.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.825 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -112.14 99.76 8.31 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mm -90.17 134.11 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.026 -174.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -84.72 108.9 17.66 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.484 HG23 ' HD2' ' A' ' 15' ' ' PRO . 66.5 mt -65.81 139.66 96.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.198 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HD2' HG23 ' A' ' 14' ' ' ILE . 25.2 Cg_exo -56.7 145.64 81.24 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.64 2.227 . . . . 0.0 110.821 176.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.55 -23.96 66.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.626 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -89.18 -32.31 17.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.101 0.476 . . . . 0.0 110.944 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.408 HD13 ' HB2' ' A' ' 15' ' ' PRO . 1.5 mp -77.43 134.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.964 -177.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.07 142.73 30.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.088 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -74.27 96.7 2.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 23' ' ' ALA . 32.3 p30 -151.96 -177.23 6.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.402 -176.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.39 -25.76 66.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.373 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -59.73 -42.45 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.111 0.481 . . . . 0.0 110.425 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.1 tt -59.39 -45.33 91.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.623 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 81.4 tttt -61.54 -48.12 82.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.548 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.2 m -64.99 -32.18 57.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.405 -176.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 65.6 mtt180 -64.58 -53.12 52.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.117 0.484 . . . . 0.0 110.125 173.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.716 ' O ' HG11 ' A' ' 34' ' ' VAL . 19.0 mt -68.73 -29.48 67.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.622 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.524 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.5 mt -65.9 -6.96 13.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 111.465 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -106.84 17.02 23.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.21 175.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.56 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 82.6 m -92.08 143.49 26.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.796 0.331 . . . . 0.0 110.318 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.29 107.43 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 111.801 -174.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.34 10.93 28.53 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.947 -0.569 . . . . 0.0 113.111 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.716 HG11 ' O ' ' A' ' 28' ' ' LEU . 32.7 m -80.27 145.23 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.964 0.411 . . . . 0.0 111.126 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 32.2 mmmt -117.02 -31.92 5.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.065 173.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -169.42 141.23 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.178 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.542 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 97.9 t -120.6 130.01 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.361 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 6.5 mp -116.18 141.2 48.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.721 178.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -99.98 133.2 43.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 120.939 0.399 . . . . 0.0 110.288 175.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.28 82.92 1.92 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.413 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 27.6 mt-10 -58.61 -38.27 77.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.619 -176.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.24 -38.37 90.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.747 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -88.94 -8.13 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.102 0.477 . . . . 0.0 110.765 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.464 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 9.8 t60 55.04 42.55 30.84 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.6 -171.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -135.43 175.86 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.559 -172.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.81 136.28 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.93 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.613 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 65.8 m-85 -103.32 104.93 15.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.218 0.532 . . . . 0.0 109.996 174.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.434 HG13 HG22 ' A' ' 37' ' ' VAL . 56.7 t -105.16 113.21 41.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -83.66 122.48 28.67 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.928 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.616 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 5.5 pt -105.5 156.45 6.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.776 -175.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' HD3' ' A' ' 35' ' ' LYS . 34.1 t70 -87.2 99.09 11.69 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.7 p -68.21 1.34 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.13 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 9.3 mmpt? -88.49 -39.14 14.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.5 p -91.84 -27.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.463 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 t -144.02 176.73 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.707 0.289 . . . . 0.0 110.856 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -127.29 162.87 25.21 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 173.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.654 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 37.6 ttp180 -46.32 -53.37 10.96 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -175.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.27 -43.69 77.23 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.183 -171.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.73 -52.56 64.59 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.987 0.423 . . . . 0.0 111.036 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.553 ' O ' HD12 ' A' ' 64' ' ' ILE . 14.0 p -67.94 -36.43 75.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.417 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.654 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 6.7 tm-20 -57.35 -47.92 80.36 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.808 0.443 . . . . 0.0 110.174 177.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 35.9 tt0 -57.71 -40.93 80.68 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.244 177.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.81 87.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.661 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -62.08 -50.19 81.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.539 178.121 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -62.56 -35.03 78.19 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.141 -179.051 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 27.6 mt-30 -64.21 -36.46 84.15 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.97 -25.84 65.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.32 0.581 . . . . 0.0 110.062 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.18 -41.45 10.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.374 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.649 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.7 m . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.469 ' HB2' HG12 ' A' ' 50' ' ' ILE . 21.8 m -119.29 120.95 38.48 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 164.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 p -85.5 114.8 22.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.031 0.443 . . . . 0.0 111.034 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.655 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 5.2 mt -95.3 144.26 26.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.51 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -104.61 103.74 13.45 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.1 mm -92.43 131.34 39.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.153 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -76.86 112.26 13.27 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.8 mt -72.68 140.95 81.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 14' ' ' ILE . 16.4 Cg_exo -62.06 152.8 73.36 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.471 2.114 . . . . 0.0 110.787 173.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.43 59.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.18 -35.12 56.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.256 0.55 . . . . 0.0 110.328 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.95 133.25 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.082 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.61 136.19 34.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.326 0.584 . . . . 0.0 111.116 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -84.42 94.28 8.48 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.104 177.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -159.29 -172.74 3.86 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 41.7 tt0 -56.77 -31.18 64.36 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.67 86.37 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.0 0.429 . . . . 0.0 110.886 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.2 tt -64.89 -41.31 95.72 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.621 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.7 tttt -59.12 -53.01 63.16 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.098 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.56 -34.77 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -71.51 -37.18 71.24 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.868 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.679 ' O ' HG11 ' A' ' 34' ' ' VAL . 30.6 mt -74.65 -29.05 61.11 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 120.837 0.351 . . . . 0.0 110.752 177.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD11 ' HE2' ' A' ' 25' ' ' LYS . 25.7 mt -65.83 -5.16 8.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 111.257 174.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -97.77 7.87 45.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.047 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.574 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 32.8 m -88.33 143.97 26.69 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 -177.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.47 114.18 4.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 0.0 111.292 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.8 24.13 12.47 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.004 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 28' ' ' LEU . 26.8 m -90.49 134.28 29.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.196 0.522 . . . . 0.0 111.028 178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.493 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 71.2 mmtt -106.41 -36.74 6.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.296 174.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -168.74 140.96 2.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.386 -174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.45 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.6 t -123.81 125.8 71.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.998 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 9.2 tt -118.18 131.55 56.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.818 -178.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -92.44 121.6 43.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.11 0.481 . . . . 0.0 110.003 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.59 83.04 1.8 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.656 175.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.86 -20.4 65.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.785 0.326 . . . . 0.0 110.631 -178.576 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.0 -29.96 68.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.193 173.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -115.94 0.41 13.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.844 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.417 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 38.7 t60 48.68 40.77 16.51 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.838 0.828 . . . . 0.0 109.389 -170.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -129.88 164.58 23.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.348 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -118.5 131.81 56.23 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.239 178.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.655 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 7.7 m-85 -99.49 103.41 15.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.474 0.654 . . . . 0.0 109.542 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.86 114.01 41.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.897 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.509 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 91.7 mttt -88.21 122.27 31.56 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.418 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.649 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 10.2 pt -104.44 155.52 5.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.67 -173.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.493 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 36.0 t70 -81.7 99.21 8.8 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 170.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 m -69.05 2.0 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.582 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -88.13 -43.06 11.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.575 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.4 p -89.82 -32.04 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 t -143.95 179.52 7.13 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.055 -174.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.439 ' O ' HG12 ' A' ' 60' ' ' VAL . 25.1 m-80 -126.99 161.12 29.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 46.9 ttp180 -46.85 -51.54 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -174.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.2 -41.11 64.17 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.998 -167.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -64.37 -48.16 76.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 50' ' ' ILE . 11.2 p -68.16 -37.89 78.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.325 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -53.35 -46.89 69.71 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.12 0.486 . . . . 0.0 109.777 174.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 8.3 tt0 -54.66 -46.25 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.253 177.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.05 77.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -65.96 -47.64 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.32 177.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 6.8 ppt_? -65.86 -33.05 74.96 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.235 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.1 mt-30 -68.36 -29.44 68.16 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.49 175.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.91 75.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.183 0.516 . . . . 0.0 109.67 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.8 mt -77.58 -26.65 50.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.482 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.816 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.731 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.9 m . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.31 0.576 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.469 ' HB3' HG12 ' A' ' 50' ' ' ILE . 13.2 t -133.76 112.58 11.48 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 168.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -79.2 100.93 7.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.947 0.403 . . . . 0.0 110.702 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.471 HD13 ' HG3' ' A' ' 57' ' ' ARG . 12.6 mt -79.5 127.14 31.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.184 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 24.5 ttp180 -87.99 104.58 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -91.76 128.43 43.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.765 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -77.96 108.99 11.62 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.466 HG23 ' HD2' ' A' ' 15' ' ' PRO . 92.7 mt -73.58 139.95 78.25 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.947 -173.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 14' ' ' ILE . 17.3 Cg_exo -59.81 154.11 52.06 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.551 2.168 . . . . 0.0 111.276 176.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.22 -41.73 73.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.338 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.73 -28.03 44.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.539 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.73 131.89 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.01 131.82 35.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.095 0.474 . . . . 0.0 110.776 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.611 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -79.69 92.29 5.37 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.986 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -154.74 -168.4 2.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.314 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.37 -30.8 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.26 88.92 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.003 0.43 . . . . 0.0 110.857 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.656 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.2 tt -64.25 -41.57 96.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.404 0.621 . . . . 0.0 109.569 175.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.597 ' HE2' HD11 ' A' ' 29' ' ' LEU . 82.6 tttt -60.08 -52.18 66.45 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.241 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 33.2 m -66.74 -35.78 75.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -173.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -68.78 -35.88 77.6 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.412 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.3 mt -76.26 -30.55 57.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.003 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.597 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.8 mt -63.61 -20.26 65.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.54 178.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 8.9 mm-40 -82.69 10.96 6.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 0.0 111.374 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.429 ' HB ' ' CG2' ' A' ' 34' ' ' VAL . 3.2 m -96.7 147.75 23.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.932 0.396 . . . . 0.0 110.59 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -76.89 119.84 21.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.312 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.0 -10.07 40.18 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.444 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.429 ' CG2' ' HB ' ' A' ' 31' ' ' THR . 97.2 t -71.74 125.85 31.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.384 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -97.79 -32.32 11.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.239 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' ' 38' ' ' LEU . 31.5 tt0 -170.25 141.02 1.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.455 -177.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.544 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 97.3 t -117.76 128.25 74.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.965 0.412 . . . . 0.0 110.402 178.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 8.9 mp -110.75 140.5 45.1 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.75 128.83 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.15 86.76 2.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.818 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.611 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 1.1 mm-40 -63.43 -23.5 67.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 110.595 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 42' ' ' GLU . 1.8 mp0 -59.61 -33.67 71.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.481 176.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -108.73 -7.27 15.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.6 t60 54.4 40.25 31.62 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.625 -171.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.433 ' HA ' HG13 ' A' ' 14' ' ' ILE . 67.7 m -140.67 162.04 36.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.869 -177.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -110.81 147.94 33.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.404 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.552 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 40.5 m-85 -112.76 103.73 11.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.285 0.564 . . . . 0.0 109.621 170.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.405 HG22 HG13 ' A' ' 37' ' ' VAL . 57.8 t -100.01 110.76 27.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.336 -176.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -80.36 120.95 25.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.297 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.731 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 15.8 pt -105.07 149.34 8.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.44 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.468 ' HB3' HG12 ' A' ' 54' ' ' VAL . 22.5 t70 -88.64 107.53 18.97 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 169.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 m -64.9 -11.21 35.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.227 -174.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -83.87 -31.23 25.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.549 0.214 . . . . 0.0 111.198 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 51' ' ' ASP . 10.6 p -105.13 -32.02 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -126.88 176.91 6.94 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.639 -173.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -129.77 141.8 50.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.532 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.607 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 43.2 ttp180 -47.09 -54.04 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.68 -42.92 81.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -173.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.03 -45.91 83.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.329 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.583 ' O ' HD12 ' A' ' 64' ' ' ILE . 7.8 p -70.22 -40.16 77.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 5.6 tm-20 -53.73 -45.18 70.42 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.235 0.614 . . . . 0.0 109.579 174.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 8.4 tt0 -54.58 -49.09 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.291 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.38 90.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.6 -50.04 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.66 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -63.46 -35.88 81.91 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.236 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.3 mt-30 -63.37 -27.5 69.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.066 0.46 . . . . 0.0 111.263 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.11 -21.81 62.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.724 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -94.78 -34.47 12.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.199 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.364 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 18.5 m . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 121.271 0.557 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 t -118.34 122.22 42.33 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -84.23 113.16 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.896 0.379 . . . . 0.0 110.335 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.4 mt -99.6 124.06 44.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.425 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 35.4 ttm180 -84.85 102.66 13.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mm -91.06 126.22 43.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.368 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -76.42 111.86 12.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.054 0.454 . . . . 0.0 109.881 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.522 HG23 ' HD2' ' A' ' 15' ' ' PRO . 80.0 mt -78.22 142.5 63.59 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.519 -176.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' HG23 ' A' ' 14' ' ' ILE . 19.4 Cg_exo -57.51 144.82 91.18 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.569 2.179 . . . . 0.0 110.659 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.38 -24.0 65.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.269 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.32 -39.88 17.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.563 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.29 132.44 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.275 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.85 134.41 35.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.159 0.504 . . . . 0.0 111.716 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -76.02 95.5 3.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.632 174.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -159.67 -169.86 2.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.55 -28.77 69.57 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -175.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.9 84.8 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.473 0.654 . . . . 0.0 110.094 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 1.3 tp -63.06 -44.58 95.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.344 174.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HE2' HD11 ' A' ' 29' ' ' LEU . 82.1 tttt -58.14 -52.94 63.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.525 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.0 -32.93 60.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -72.57 -37.02 68.32 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.378 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD22 HG23 ' A' ' 64' ' ' ILE . 39.7 mt -76.1 -29.87 58.07 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.014 178.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD11 ' HE2' ' A' ' 25' ' ' LYS . 15.9 mt -64.25 -11.89 35.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 177.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -97.56 14.74 25.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.61 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 19.7 m -89.96 143.83 26.44 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.34 111.81 2.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.411 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.9 14.14 29.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.101 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.61 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 30.1 m -83.09 149.73 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.941 0.401 . . . . 0.0 110.631 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.455 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 70.6 mmtt -117.87 -37.63 3.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.413 173.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -168.37 140.92 2.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.499 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.442 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.5 t -118.74 120.53 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.365 0.603 . . . . 0.0 111.325 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.9 mp -100.76 140.88 34.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.837 177.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -100.1 133.65 42.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.965 0.412 . . . . 0.0 110.071 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.03 81.15 1.94 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.983 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.643 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 43.0 mt-10 -61.29 -31.09 70.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.422 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.47 -25.31 67.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.378 0.608 . . . . 0.0 110.466 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -110.81 -2.27 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.345 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 t60 50.78 39.86 23.15 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.608 -171.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.408 ' HA ' HG13 ' A' ' 14' ' ' ILE . 67.5 m -138.64 166.88 23.21 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.729 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -114.34 154.94 27.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.393 177.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.508 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 69.8 m-85 -118.23 103.17 9.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.457 0.646 . . . . 0.0 109.784 169.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.8 t -99.84 114.12 37.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.36 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -80.78 119.12 22.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.594 HG21 HG11 ' A' ' 60' ' ' VAL . 33.6 pt -105.21 166.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.47 0.652 . . . . 0.0 111.435 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.455 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 29.7 t70 -97.36 105.27 17.39 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.657 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -70.7 -0.65 9.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.817 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -87.97 -29.13 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 0.0 110.703 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -109.33 -27.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -139.79 176.84 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.881 -175.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.472 ' O ' HG12 ' A' ' 60' ' ' VAL . 61.2 t30 -127.82 142.72 51.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.137 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.607 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 34.7 ttp180 -46.04 -54.94 7.58 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -172.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.77 -36.67 80.9 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.067 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -68.44 -52.18 35.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.577 -179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 50' ' ' ILE . 14.9 p -66.76 -33.7 65.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.512 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -55.86 -45.43 78.48 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 8.1 tt0 -61.11 -39.12 88.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.669 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.87 90.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.89 0.376 . . . . 0.0 110.652 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.601 HG23 HD22 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -62.98 -47.55 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.296 177.423 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -62.77 -34.19 76.72 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.341 -179.054 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.89 -33.07 75.0 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.806 0.336 . . . . 0.0 111.584 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.26 -21.24 65.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.264 0.554 . . . . 0.0 110.282 175.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 ' HD3' ' A' ' 15' ' ' PRO . 64.0 mt -93.9 -40.27 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.924 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.789 -178.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.55 HG22 ' HB3' ' A' ' 49' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.445 -0.708 0 CA-C-O 121.333 0.587 . . . . 0.0 112.147 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 m -134.39 124.63 26.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.326 172.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 p -91.92 101.48 14.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.94 0.4 . . . . 0.0 110.803 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.6 mt -79.99 133.36 36.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.419 -177.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -92.83 106.04 18.07 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.25 132.58 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.108 -178.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 8.0 pt-20 -81.24 108.61 15.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.51 0.672 . . . . 0.0 109.828 175.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 15' ' ' PRO . 75.8 mt -72.56 137.22 80.58 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.162 -176.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 14' ' ' ILE . 35.9 Cg_exo -54.56 142.73 70.73 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.69 2.26 . . . . 0.0 111.341 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.51 -25.0 67.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.72 -29.85 25.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mp -84.14 133.51 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.19 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.68 141.67 32.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -78.56 95.46 5.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.617 176.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.68 -175.81 5.6 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.451 -177.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.16 -28.01 69.46 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.88 83.14 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.497 0.665 . . . . 0.0 110.274 177.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.572 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.1 tt -61.31 -45.19 95.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.366 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HE2' HD11 ' A' ' 29' ' ' LEU . 81.6 tttt -58.49 -52.39 65.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.674 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.46 -34.75 71.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -73.83 -36.11 64.91 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.509 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.677 ' O ' HG11 ' A' ' 34' ' ' VAL . 34.2 mt -73.67 -29.81 62.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.749 0.309 . . . . 0.0 110.403 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.544 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.8 mt -64.99 -4.88 5.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.721 0.296 . . . . 0.0 111.488 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -105.94 8.69 32.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.149 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.596 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 16.9 m -87.22 144.43 26.82 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.009 0.433 . . . . 0.0 109.962 -177.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.52 110.79 2.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.326 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.52 3.01 35.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.995 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.677 HG11 ' O ' ' A' ' 28' ' ' LEU . 21.9 m -76.6 142.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.289 0.566 . . . . 0.0 110.93 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -113.56 -37.14 4.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.484 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -169.21 140.78 2.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.942 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.479 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 87.7 t -120.59 126.33 75.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.098 0.475 . . . . 0.0 110.925 -177.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.6 mp -109.41 140.76 42.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.15 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -106.42 131.1 57.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.957 0.408 . . . . 0.0 110.298 174.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.15 89.88 3.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.551 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 44.4 mt-10 -60.43 -38.94 85.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.696 -175.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.36 -35.33 80.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.761 0.315 . . . . 0.0 110.948 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -90.0 -7.15 54.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.482 . . . . 0.0 110.382 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 51.75 38.91 24.25 Favored 'General case' 0 C--N 1.335 -0.062 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.678 -172.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.402 ' HA ' HG13 ' A' ' 14' ' ' ILE . 25.3 m -139.76 160.76 39.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.186 -176.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.79 149.01 37.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.356 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 94.6 m-85 -113.49 104.13 11.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.216 0.531 . . . . 0.0 109.589 171.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.409 HG22 HG13 ' A' ' 37' ' ' VAL . 60.6 t -100.96 113.73 37.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.609 -176.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.55 ' HB3' HG22 ' A' ' 7' ' ' VAL . 79.1 mttt -80.91 121.31 25.83 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.209 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 35.2 pt -105.9 165.27 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.49 0.662 . . . . 0.0 111.549 -178.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.542 ' HB3' HG12 ' A' ' 54' ' ' VAL . 18.4 t70 -103.62 100.34 10.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.942 -1.481 . . . . 0.0 108.685 172.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.589 ' HA ' ' O ' ' A' ' 55' ' ' THR . 24.1 p -67.65 -1.45 5.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -173.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 13.1 mmmm -88.96 -37.46 15.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.776 0.322 . . . . 0.0 111.085 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.542 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.0 p -91.28 -27.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.589 ' O ' ' HA ' ' A' ' 52' ' ' SER . 11.3 t -154.98 157.73 38.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.382 -177.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.428 ' O ' HG12 ' A' ' 60' ' ' VAL . 40.4 m-80 -102.3 164.43 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 40.7 ttp180 -46.73 -55.44 7.81 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 123.741 0.651 . . . . 0.0 112.726 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.72 -43.03 94.71 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.351 -165.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -63.41 -52.8 60.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 111.36 -177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.591 ' O ' HD12 ' A' ' 64' ' ' ILE . 14.7 p -70.75 -37.36 68.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 34.5 tt0 -57.76 -43.95 85.79 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.386 0.674 . . . . 0.0 110.198 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.473 ' HG3' ' NH2' ' A' ' 65' ' ' ARG . 29.4 tt0 -58.91 -44.33 91.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.178 176.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.99 96.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.33 -48.33 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.624 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.473 ' NH2' ' HG3' ' A' ' 62' ' ' GLN . 5.7 ppt_? -66.09 -35.54 80.78 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.273 -0.571 . . . . 0.0 111.143 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 28.5 mt-30 -65.47 -32.41 74.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.737 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.3 -22.71 65.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.217 0.532 . . . . 0.0 110.167 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.7 mt -91.0 -31.04 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.469 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.859 -179.408 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 120.981 0.42 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 m -123.94 112.69 17.52 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -82.1 111.77 18.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.092 0.472 . . . . 0.0 109.786 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.5 HD22 ' HG3' ' A' ' 57' ' ' ARG . 10.0 mt -95.41 127.29 41.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.084 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -87.63 102.15 14.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.172 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -91.87 128.89 43.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.969 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -77.42 110.47 12.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.876 0.37 . . . . 0.0 110.08 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.434 HG13 ' HA ' ' A' ' 45' ' ' SER . 67.2 mt -69.46 139.28 89.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.388 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 14' ' ' ILE . 22.5 Cg_exo -59.87 157.37 33.76 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.768 2.312 . . . . 0.0 111.073 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.52 -34.78 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.904 0.383 . . . . 0.0 110.686 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.46 -43.48 32.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.578 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.02 130.79 33.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.459 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.18 143.42 32.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.168 0.509 . . . . 0.0 111.483 -177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.73 91.49 8.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.182 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -153.79 -173.48 4.59 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.239 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 34.2 tt0 -60.9 -32.46 71.92 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -175.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.79 83.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.473 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 10.1 tt -61.52 -43.72 98.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.25 175.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HE2' HD11 ' A' ' 29' ' ' LEU . 78.5 tttt -60.31 -54.16 49.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.649 -178.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.7 m -66.53 -32.04 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.086 -172.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.18 -36.14 64.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.303 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 34.4 mt -73.45 -29.12 62.35 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.571 175.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.623 HD11 ' HE2' ' A' ' 25' ' ' LYS . 18.7 mt -64.26 -6.12 6.27 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.498 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 42.5 mt-10 -100.28 16.66 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.611 0.243 . . . . 0.0 111.04 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.594 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 10.1 m -94.63 144.74 25.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -177.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.89 110.74 5.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.108 0.48 . . . . 0.0 111.317 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.81 17.82 13.82 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.609 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.594 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 35.3 m -85.44 142.66 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.345 0.593 . . . . 0.0 111.395 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -110.65 -38.39 5.18 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.677 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -170.45 140.58 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.645 -175.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.541 HG22 HG13 ' A' ' 48' ' ' VAL . 95.0 t -118.21 128.22 75.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.998 0.428 . . . . 0.0 110.667 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.9 mp -112.68 140.32 47.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.037 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.07 120.14 50.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 171.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.27 87.23 2.83 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -64.25 -39.29 93.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 -171.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.37 -30.2 69.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.312 0.577 . . . . 0.0 110.425 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -88.78 -11.16 45.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.36 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t60 53.83 36.37 23.9 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.131 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.434 ' HA ' HG13 ' A' ' 14' ' ' ILE . 48.7 m -138.22 165.68 26.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.429 -175.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.01 144.82 43.01 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.444 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 59.8 m-85 -111.53 103.21 11.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.483 0.658 . . . . 0.0 109.501 171.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 37' ' ' VAL . 32.9 t -101.34 110.04 27.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.976 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -83.34 122.12 28.04 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.755 HG21 HG11 ' A' ' 60' ' ' VAL . 44.6 pt -105.1 161.6 4.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.687 0.756 . . . . 0.0 111.57 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.03 100.78 13.18 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.74 -1.573 . . . . 0.0 108.091 173.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 m -70.37 0.78 5.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.358 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -88.66 -38.06 15.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.0 110.645 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.8 p -95.46 -34.74 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -126.88 -179.9 5.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.1 0.476 . . . . 0.0 111.584 -172.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.499 ' O ' HG12 ' A' ' 60' ' ' VAL . 54.1 t30 -134.6 137.45 43.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.45 -178.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.728 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 4.0 ttp180 -45.83 -54.71 7.63 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.32 -45.28 92.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -172.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -66.14 -49.21 68.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.332 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.755 HG11 HG21 ' A' ' 50' ' ' ILE . 12.3 p -68.17 -36.47 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.193 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.728 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 8.3 tm-20 -54.76 -45.65 74.23 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.399 0.68 . . . . 0.0 109.779 175.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.578 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 28.1 tt0 -55.55 -49.79 71.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.238 176.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.25 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 0.0 111.013 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.9 OUTLIER -64.6 -49.79 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.403 178.504 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 7.2 ppt_? -62.54 -38.33 89.58 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.401 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 21.9 mt-30 -60.82 -37.78 83.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.554 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.49 82.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.833 0.349 . . . . 0.0 110.286 175.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -77.24 -32.98 56.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.878 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.016 -178.519 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.914 0.387 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -78.87 167.81 53.04 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.128 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -103.82 19.52 19.79 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.428 0.632 . . . . 0.0 109.836 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -121.78 90.15 48.2 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.974 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 60.5 Cg_endo -76.73 160.88 34.18 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.657 2.238 . . . . 0.0 111.661 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 7.6 Cg_exo -72.49 24.48 0.28 Allowed 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.042 2.494 . . . . 0.0 112.779 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' H ' ' C ' ' A' ' 4' ' ' PRO . 56.3 m-85 -123.73 11.02 9.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.537 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.625 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.2 m -77.17 124.41 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 121.312 0.577 . . . . 0.0 111.784 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -118.33 117.93 30.41 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -82.47 108.04 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.062 0.458 . . . . 0.0 110.77 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.657 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.3 mt -81.78 148.67 28.77 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -109.44 98.36 7.77 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -90.74 135.87 25.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.915 -176.061 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.38 115.05 21.24 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.465 HG23 ' HD2' ' A' ' 15' ' ' PRO . 58.1 mt -66.55 138.35 95.58 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.32 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.465 ' HD2' HG23 ' A' ' 14' ' ' ILE . 22.4 Cg_exo -56.29 152.15 40.35 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.67 2.246 . . . . 0.0 111.155 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -25.42 65.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.824 -175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -93.25 -28.65 16.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.211 0.529 . . . . 0.0 110.617 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -79.57 139.26 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.114 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.77 151.0 21.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.952 0.406 . . . . 0.0 111.121 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 41' ' ' GLU . . . -76.21 86.72 3.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.455 173.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -142.28 177.3 8.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.715 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.42 -25.86 66.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.91 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.69 90.66 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.198 0.523 . . . . 0.0 110.098 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 10.2 tt -60.95 -39.86 91.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.609 174.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HB2' HD13 ' A' ' 39' ' ' ILE . 79.2 tttt -64.93 -53.59 43.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.476 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.2 m -62.97 -33.82 62.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -71.84 -39.12 69.98 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.546 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.1 mt -74.37 -29.81 61.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.456 -0.152 . . . . 0.0 111.268 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.522 HD11 ' HE2' ' A' ' 25' ' ' LYS . 16.0 mt -65.96 -9.44 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.625 0.25 . . . . 0.0 111.635 177.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -95.72 14.4 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.601 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 13.9 m -93.6 144.31 25.5 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -177.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -67.23 114.04 5.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.018 0.437 . . . . 0.0 111.274 -175.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.48 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 103.81 8.87 38.84 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.927 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.601 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.3 m -78.25 137.65 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.082 0.468 . . . . 0.0 111.061 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -114.12 -26.49 8.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.286 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -168.17 144.17 3.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.925 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.604 HG22 HG13 ' A' ' 48' ' ' VAL . 88.2 t -128.53 112.66 27.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -107.0 117.15 33.31 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.626 -176.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.5 mp -76.74 129.63 37.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-O 121.156 0.503 . . . . 0.0 110.124 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.93 85.36 2.1 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 20' ' ' ALA . 37.3 mt-10 -59.79 -40.32 87.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.059 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.05 -22.39 59.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.342 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -100.27 -7.18 24.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.04 0.448 . . . . 0.0 110.934 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 21.3 t60 53.77 40.24 31.26 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.288 -173.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.8 m -138.42 170.98 15.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.003 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -128.28 129.12 45.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.225 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.657 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 34.0 m-85 -99.81 102.85 14.4 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.289 0.566 . . . . 0.0 109.663 174.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.604 HG13 HG22 ' A' ' 37' ' ' VAL . 21.3 t -104.74 117.02 49.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.188 -176.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -82.82 126.11 32.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.02 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.625 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 26.5 pt -104.11 149.9 7.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.391 -177.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' A' ' 53' ' ' LYS . 14.2 t70 -93.03 103.86 16.13 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.114 173.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.4 m -69.74 1.32 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -174.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 30.1 mmmt -88.28 -28.36 21.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.152 -0.343 . . . . 0.0 110.597 176.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -110.34 -39.7 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.48 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 14.9 t -128.18 161.23 29.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.158 0.504 . . . . 0.0 111.673 -171.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 60' ' ' VAL . 43.2 t30 -114.33 147.53 38.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.414 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.603 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 53.1 ttp180 -47.18 -54.53 10.44 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -173.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -63.63 -44.74 93.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.816 0.341 . . . . 0.0 110.724 -175.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.06 -51.67 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.052 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.577 ' O ' HD12 ' A' ' 64' ' ' ILE . 13.5 p -68.42 -37.15 77.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.603 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.2 tm-20 -55.46 -48.87 73.82 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.224 0.61 . . . . 0.0 109.908 176.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 35.4 tt0 -56.55 -43.52 80.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.702 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.23 83.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -61.33 -45.89 97.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.526 178.533 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 6.1 ppt_? -68.28 -32.26 72.29 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.4 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 57.0 mt-30 -65.66 -28.79 69.34 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.555 176.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.28 -21.14 62.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.308 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.421 HD13 ' HD3' ' A' ' 15' ' ' PRO . 54.7 mt -91.66 -39.64 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.056 175.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.517 178.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.951 0.405 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 120.91 -135.74 10.93 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.043 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 67.33 -177.67 0.21 Allowed 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.045 0.538 . . . . 0.0 111.21 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.43 ' HG2' ' HD2' ' A' ' 49' ' ' LYS . 6.6 mp0 -74.33 151.59 87.74 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.617 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -83.05 173.52 10.01 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.049 2.5 . . . . 0.0 112.088 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.64 -179.25 1.52 Allowed 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.521 2.148 . . . . 0.0 112.344 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 70.54 5.41 5.38 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.567 0.747 . . . . 0.0 111.767 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.624 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 16.0 m -80.95 138.27 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-O 121.421 0.629 . . . . 0.0 111.87 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -117.53 115.88 26.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.84 171.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -82.76 108.44 16.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 0.0 110.978 -176.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.61 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 6.8 mt -90.18 135.72 33.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.986 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -97.98 99.62 10.92 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mm -91.06 128.42 42.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.155 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -79.03 108.45 12.53 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.548 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.2 mt -68.25 139.38 92.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.548 ' HD2' HG23 ' A' ' 14' ' ' ILE . 21.5 Cg_exo -55.34 157.38 14.61 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 123.083 2.522 . . . . 0.0 111.542 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.64 -19.53 60.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.983 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -92.77 -41.81 9.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.922 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.431 HD13 ' HG2' ' A' ' 15' ' ' PRO . 2.1 mp -71.18 128.96 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.846 -177.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 143.96 32.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.139 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -79.42 90.98 5.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.085 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -151.26 -175.18 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.913 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.41 -30.94 68.82 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.06 -42.44 80.57 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.264 0.554 . . . . 0.0 110.612 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.5 tt -61.79 -42.05 98.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.541 176.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.6 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.4 tttt -61.32 -53.27 58.9 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.604 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -63.42 -34.67 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -172.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -73.48 -38.98 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.976 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.5 mt -70.34 -29.57 66.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.592 177.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.6 HD11 ' HE2' ' A' ' 25' ' ' LYS . 19.0 mt -65.22 -6.58 9.84 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.585 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -101.86 26.23 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.575 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 8.8 m -108.43 146.94 32.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.644 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -57.09 118.78 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.708 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.9 7.47 66.11 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.601 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.584 HG11 ' O ' ' A' ' 28' ' ' LEU . 32.6 m -71.42 136.88 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 117.161 0.48 . . . . 0.0 110.645 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 28.0 mmmt -111.8 -31.51 6.93 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HG3' HD12 ' A' ' 38' ' ' LEU . 6.5 tp10 -170.29 146.3 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.913 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.1 t -123.77 115.14 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.005 0.431 . . . . 0.0 110.272 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.6 mp -96.83 135.64 38.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.176 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.504 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.6 mp -96.24 121.61 46.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 170.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.57 85.54 2.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.27 -25.14 65.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.6 -174.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.09 -9.04 59.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.96 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -119.39 -8.33 10.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.169 0.509 . . . . 0.0 110.93 -172.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.5 t60 53.3 36.58 23.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.877 0.846 . . . . 0.0 109.045 -173.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 m -138.12 165.95 25.34 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.163 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.16 139.14 54.11 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.61 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 54.9 m-85 -107.71 103.0 12.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.562 0.696 . . . . 0.0 110.031 173.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 49.0 t -96.4 111.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.832 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HD2' ' HG2' ' A' ' 3' ' ' GLU . 84.6 mttt -86.27 115.19 23.66 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.722 HG21 HG11 ' A' ' 60' ' ' VAL . 43.0 pt -104.88 166.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.356 0.598 . . . . 0.0 111.428 -178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' HB3' HG12 ' A' ' 54' ' ' VAL . 27.4 t70 -89.78 109.27 20.28 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.874 172.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.8 p -63.72 -7.74 8.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.631 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -88.46 -47.5 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.618 0.247 . . . . 0.0 111.289 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.456 HG12 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -84.99 -29.62 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -175.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -135.79 179.13 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.397 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.473 ' O ' HG12 ' A' ' 60' ' ' VAL . 48.5 t-20 -135.12 140.13 45.21 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 47.1 ttp180 -46.07 -54.43 8.53 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.19 -38.62 82.19 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.1 -171.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 62' ' ' GLN . 47.5 mt-10 -68.59 -48.22 64.73 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.255 0.55 . . . . 0.0 110.686 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.722 HG11 HG21 ' A' ' 50' ' ' ILE . 12.1 p -69.29 -35.65 68.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.236 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.6 tm-20 -55.98 -43.62 77.77 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.492 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 8.4 tt0 -54.44 -45.5 73.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.486 176.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.31 -42.17 88.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.52 -46.52 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.464 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.4 ppt_? -62.2 -37.47 85.43 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -64.21 -32.82 74.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.626 0.25 . . . . 0.0 111.585 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.7 -21.97 63.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.192 0.52 . . . . 0.0 110.327 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD13 ' HD3' ' A' ' 15' ' ' PRO . 72.1 mt -89.98 -29.42 18.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.335 174.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 55.0 mm-40 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.294 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.555 0.217 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -110.8 142.71 16.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.38 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm 69.21 131.0 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.668 0.747 . . . . 0.0 111.983 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -94.27 137.31 22.84 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.478 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 72.9 Cg_endo -78.94 159.26 27.42 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.983 2.455 . . . . 0.0 113.103 -171.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 3.3 Cg_exo -77.08 17.83 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.264 2.643 . . . . 0.0 112.327 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -100.07 9.97 42.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.415 0.626 . . . . 0.0 109.572 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.634 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 12.6 m -72.16 130.68 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.345 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 9.0 t -126.73 125.93 42.62 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -90.38 108.28 19.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.207 0.527 . . . . 0.0 110.842 -176.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.2 mt -90.25 118.12 29.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.263 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -78.67 97.96 6.03 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 10' ' ' LEU . 2.8 mm -91.46 129.14 42.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.89 119.3 21.87 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.428 HG13 ' HA ' ' A' ' 45' ' ' SER . 66.7 mt -70.16 139.01 87.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.639 -176.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.7 Cg_exo -58.14 157.82 24.1 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.692 2.262 . . . . 0.0 111.404 174.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.71 75.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.63 -39.39 31.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.077 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.63 134.8 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.244 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.95 148.46 26.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.199 0.524 . . . . 0.0 111.525 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.88 93.61 8.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.589 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -167.37 -166.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -62.07 -32.09 72.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.597 -176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.77 82.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.265 0.555 . . . . 0.0 110.505 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 tt -65.33 -43.01 92.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.558 176.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 67.7 tttt -62.94 -52.15 64.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.491 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.65 -32.77 59.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -72.06 -39.16 69.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.245 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.541 ' O ' HG11 ' A' ' 34' ' ' VAL . 33.0 mt -76.19 -29.37 57.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.425 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.01 -4.93 3.84 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -102.31 17.7 22.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.705 0.288 . . . . 0.0 110.891 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.586 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 14.8 m -97.55 143.93 27.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.72 113.05 4.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.717 0.294 . . . . 0.0 111.378 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 103.98 11.01 33.31 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.731 176.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.586 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 33.0 m -80.88 143.34 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.925 0.393 . . . . 0.0 110.715 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -117.08 -35.12 4.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.213 0.53 . . . . 0.0 110.052 173.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -167.05 141.33 3.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.173 -175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.569 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 62.8 t -120.69 113.62 40.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -105.79 106.96 17.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.596 -174.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.402 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -75.99 130.23 36.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.101 0.477 . . . . 0.0 110.207 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.84 89.8 3.17 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.07 -41.93 93.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.451 -172.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -74.94 -28.52 60.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.358 . . . . 0.0 111.328 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -83.08 -13.13 56.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.157 0.503 . . . . 0.0 110.443 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.8 t60 58.03 39.94 25.89 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.304 -174.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.428 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.4 m -142.27 165.76 26.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.506 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.82 129.54 26.24 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 175.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 63.7 m-85 -89.99 107.16 18.95 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.98 0.419 . . . . 0.0 110.586 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.4 t -88.67 108.37 18.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HG2' ' HB ' ' A' ' 7' ' ' VAL . 4.7 ttmm -82.43 114.77 21.1 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.884 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.691 HG21 HG11 ' A' ' 60' ' ' VAL . 49.6 pt -104.82 170.7 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 CA-C-O 121.506 0.669 . . . . 0.0 111.922 -173.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.56 ' HB3' HG12 ' A' ' 54' ' ' VAL . 15.4 t70 -104.82 102.58 12.13 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.943 174.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -67.8 -2.38 7.07 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -172.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -89.04 -39.31 13.75 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.067 -0.396 . . . . 0.0 110.977 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.56 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.9 p -92.3 -27.09 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.31 -178.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.443 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 12.7 t -145.19 165.53 28.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.43 . . . . 0.0 111.159 -176.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.511 ' O ' HG12 ' A' ' 60' ' ' VAL . 95.1 m-20 -118.01 154.04 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.516 177.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.547 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 16.7 ttm-85 -45.96 -53.52 9.84 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.62 -43.4 80.47 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.102 -169.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.53 -51.97 65.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.289 0.566 . . . . 0.0 110.832 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.691 HG11 HG21 ' A' ' 50' ' ' ILE . 13.2 p -68.98 -37.63 77.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.525 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 6.5 tm-20 -54.17 -46.98 72.46 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.461 ' HG3' ' NH2' ' A' ' 65' ' ' ARG . 8.3 tt0 -54.99 -44.25 74.3 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.613 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.13 -36.06 79.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.573 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.69 -49.44 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.309 178.503 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' NH2' ' HG3' ' A' ' 62' ' ' GLN . 4.9 ppt_? -62.09 -36.62 82.26 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.17 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -65.09 -29.79 70.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.82 0.343 . . . . 0.0 111.707 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.49 61.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.961 0.41 . . . . 0.0 110.403 175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.461 HD13 ' HD3' ' A' ' 15' ' ' PRO . 62.4 mt -95.47 -27.89 15.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 176.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.438 179.234 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 62.0 ttp . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.787 0.327 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 95.96 168.16 34.81 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.829 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 57.21 76.11 0.33 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.569 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -75.06 117.26 61.48 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.878 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 72.1 Cg_endo -85.15 145.28 9.7 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.703 2.268 . . . . 0.0 111.657 177.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 12.1 Cg_exo -71.86 43.32 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.841 2.361 . . . . 0.0 112.467 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -132.07 -0.95 3.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.65 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.669 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 10.8 m -71.67 117.34 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 121.469 0.652 . . . . 0.0 111.457 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.6 m -97.41 142.35 29.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.629 177.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -95.19 106.75 18.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.65 0.262 . . . . 0.0 110.699 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 9.3 mt -97.6 126.51 42.94 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' NH2' ' HB3' ' A' ' 43' ' ' GLU . 37.4 ttt180 -91.51 107.17 19.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.031 0.443 . . . . 0.0 110.222 175.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -93.57 128.09 45.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.892 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.83 108.64 10.0 Favored 'General case' 0 C--N 1.317 -0.804 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.507 HG23 ' HD2' ' A' ' 15' ' ' PRO . 69.4 mt -64.38 140.12 97.88 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.465 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 14' ' ' ILE . 16.9 Cg_exo -58.23 146.95 86.72 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.707 2.271 . . . . 0.0 110.544 175.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 -23.49 66.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.555 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.07 -37.86 17.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.021 0.438 . . . . 0.0 110.535 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.95 137.53 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.581 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.84 142.71 27.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.422 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -73.98 91.98 2.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.673 173.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -148.23 178.64 8.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.192 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.65 -28.97 70.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.203 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -58.8 -38.77 79.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.158 0.504 . . . . 0.0 110.532 176.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 tt -61.81 -43.56 98.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.449 0.643 . . . . 0.0 109.585 174.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 78.5 tttt -61.55 -52.89 62.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.56 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.3 m -63.86 -35.38 73.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -70.28 -38.06 74.99 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.273 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 33.7 mt -74.68 -29.72 61.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.036 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD11 ' HE2' ' A' ' 25' ' ' LYS . 20.0 mt -63.2 -8.51 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.69 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 24.1 mt-10 -104.08 19.99 19.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.704 0.287 . . . . 0.0 110.931 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.591 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 23.7 m -95.58 143.62 26.72 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -68.89 116.26 9.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.855 0.36 . . . . 0.0 110.893 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 107.43 9.46 29.15 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.328 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.591 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 29.8 m -86.06 159.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.296 0.57 . . . . 0.0 111.215 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -134.64 -35.86 0.87 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.982 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -168.89 140.51 2.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.703 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.62 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 95.3 t -122.51 129.73 75.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.065 0.46 . . . . 0.0 110.557 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.499 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.2 mp -109.03 141.04 41.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.931 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -102.69 132.73 48.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.117 0.484 . . . . 0.0 110.201 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.41 84.08 2.16 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.28 173.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.0 -43.4 81.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.143 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.75 -27.01 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.037 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.491 ' HB3' ' NH2' ' A' ' 11' ' ' ARG . 70.9 mm-40 -94.69 -12.21 27.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.295 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.432 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 17.3 t60 52.79 41.69 31.7 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.006 -169.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.439 ' HA ' HG13 ' A' ' 14' ' ' ILE . 21.2 m -138.55 167.72 21.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.373 -177.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -120.81 147.52 45.24 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 79.7 m-85 -113.57 104.1 11.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.386 0.612 . . . . 0.0 109.847 171.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.3 t -95.24 119.87 43.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.142 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -80.66 109.59 15.33 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.408 -1.269 . . . . 0.0 109.203 174.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.669 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.5 pt -105.2 160.48 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 CA-C-O 121.877 0.846 . . . . 0.0 112.478 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.469 ' HB3' HG12 ' A' ' 54' ' ' VAL . 9.9 t70 -92.22 92.71 8.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 113.532 -1.667 . . . . 0.0 108.23 173.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.2 p -66.87 -4.54 9.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.818 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -87.42 -26.64 23.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.731 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.469 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.6 p -104.15 -28.73 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.136 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.483 HG21 ' HA3' ' A' ' 33' ' ' GLY . 10.0 t -143.55 172.05 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.84 0.352 . . . . 0.0 111.038 -174.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.57 ' O ' HG12 ' A' ' 60' ' ' VAL . 22.4 m-80 -119.48 160.23 22.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 19.1 ttm180 -46.13 -54.13 9.16 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -70.46 -38.64 74.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.841 0.353 . . . . 0.0 111.342 -166.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.24 -47.25 62.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.221 0.534 . . . . 0.0 110.775 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 56' ' ' ASN . 14.5 p -71.66 -35.37 55.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.058 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.4 tm-20 -56.81 -43.67 81.22 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 48.9 tt0 -55.15 -46.46 75.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.139 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.86 96.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.976 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -61.32 -48.02 90.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.659 178.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -64.07 -34.31 77.75 Favored 'General case' 0 C--O 1.217 -0.641 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.302 -178.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 24.5 mt-30 -67.42 -28.13 67.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.815 0.341 . . . . 0.0 111.601 176.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.85 -21.08 61.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.392 0.615 . . . . 0.0 109.996 174.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.479 HD13 ' HD3' ' A' ' 15' ' ' PRO . 45.5 mt -92.78 -37.16 12.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.381 175.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.417 178.836 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 80.47 -80.25 1.67 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.929 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -105.34 91.66 3.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.199 0.523 . . . . 0.0 110.539 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -127.89 77.02 76.97 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.648 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.0 Cg_exo -80.74 147.46 17.25 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.18 2.586 . . . . 0.0 112.109 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 2.7 Cg_exo -76.62 9.18 2.7 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.537 2.158 . . . . 0.0 112.51 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -101.63 4.87 41.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 24.0 m -73.16 143.08 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.699 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.478 ' HB2' HG12 ' A' ' 50' ' ' ILE . 23.5 m -114.09 120.22 39.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 166.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -87.46 110.1 20.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.905 0.383 . . . . 0.0 110.447 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.2 mt -91.41 129.78 37.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.326 -177.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 11.0 ttp180 -89.77 102.86 15.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -91.9 128.9 43.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.974 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.91 112.34 17.11 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.462 HG23 ' HD2' ' A' ' 15' ' ' PRO . 84.9 mt -74.06 137.94 75.9 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.903 -176.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 14' ' ' ILE . 15.1 Cg_exo -60.5 136.75 69.51 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.708 2.272 . . . . 0.0 110.469 175.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.89 68.49 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.66 -29.37 45.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.146 0.498 . . . . 0.0 110.193 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.439 HD13 ' HB2' ' A' ' 15' ' ' PRO . 1.4 mp -81.54 139.96 17.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.851 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.52 143.43 26.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.115 0.483 . . . . 0.0 111.173 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -86.44 89.54 7.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.947 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -145.68 -173.02 4.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.14 -28.32 67.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.407 0.146 . . . . 0.0 111.025 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.92 80.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.338 0.589 . . . . 0.0 110.136 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 8.8 tt -64.4 -44.12 92.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.46 174.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.64 ' HE2' HD11 ' A' ' 29' ' ' LEU . 76.0 tttt -59.19 -53.72 55.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.485 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.94 -33.09 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 8.3 ptp180 -70.59 -37.45 73.92 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.064 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' O ' HG11 ' A' ' 34' ' ' VAL . 85.6 mt -76.91 -29.03 55.54 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.508 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.64 HD11 ' HE2' ' A' ' 25' ' ' LYS . 23.5 mt -61.84 -4.32 1.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.558 174.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -104.07 16.66 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.033 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.607 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 18.8 m -94.53 144.32 25.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.92 0.39 . . . . 0.0 110.343 -177.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -61.27 101.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.091 -174.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.16 13.46 19.43 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.166 -0.54 . . . . 0.0 113.252 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.607 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.1 m -79.8 147.95 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 117.105 0.453 . . . . 0.0 111.551 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -121.11 -35.54 3.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.378 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -163.63 146.33 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.951 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.454 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 71.9 t -129.76 119.55 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 177.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tt -113.87 131.3 56.32 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.3 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.486 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.7 mp -90.17 125.28 43.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.961 0.41 . . . . 0.0 110.829 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.42 88.86 2.83 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -38.5 88.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.622 -170.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -63.06 -21.59 66.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.024 0.44 . . . . 0.0 111.058 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -101.85 -11.15 19.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.658 0.742 . . . . 0.0 109.973 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 50.63 40.55 24.15 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.484 -170.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.7 m -136.32 164.91 27.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.136 -176.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -118.23 152.43 35.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.605 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 71.7 m-85 -115.31 103.92 11.3 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 171.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -101.22 113.71 38.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.265 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HD3' HG21 ' A' ' 7' ' ' VAL . 91.7 mttt -83.94 122.07 28.23 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.837 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.539 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 7.7 pt -105.29 152.7 7.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.482 -176.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.523 ' HB3' HG12 ' A' ' 54' ' ' VAL . 25.4 t70 -83.21 102.09 11.67 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 168.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -65.21 -6.27 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.061 -173.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -86.87 -46.1 10.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.666 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 51' ' ' ASP . 9.8 p -84.16 -29.12 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.463 -177.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 t -141.13 175.05 9.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.978 0.418 . . . . 0.0 111.099 -175.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.442 ' O ' HG12 ' A' ' 60' ' ' VAL . 96.1 m-20 -126.58 154.94 43.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.741 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 32.7 ttp180 -46.73 -53.8 11.03 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -70.24 -39.45 75.02 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.379 -0.529 . . . . 0.0 111.073 -169.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.3 -50.68 59.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.061 0.458 . . . . 0.0 111.222 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.49 ' O ' HD12 ' A' ' 64' ' ' ILE . 11.4 p -67.76 -37.51 78.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.083 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.685 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 1.5 tm-20 -55.3 -44.21 75.54 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.806 174.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.607 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 3.3 tp-100 -57.02 -46.24 82.49 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.074 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.25 96.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.635 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.5 OUTLIER -59.15 -49.08 84.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.536 178.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 7.6 ppt_? -60.67 -39.68 89.3 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.921 -178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.436 ' N ' ' HD2' ' A' ' 65' ' ' ARG . 23.9 mt-30 -63.87 -28.7 70.02 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.989 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.37 -22.13 61.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.187 0.518 . . . . 0.0 110.416 175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.5 mt -91.9 -32.73 15.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.457 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--O 1.249 1.074 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.57 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.105 0.479 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -146.76 -84.74 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.694 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -141.64 28.01 1.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.775 0.321 . . . . 0.0 110.499 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.82 146.62 60.29 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.212 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 15.1 Cg_exo -68.27 152.9 75.48 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.9 2.4 . . . . 0.0 111.884 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 7.6 Cg_exo -72.47 13.24 0.57 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.954 2.436 . . . . 0.0 112.598 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.04 5.33 30.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.045 0.45 . . . . 0.0 110.135 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 27.1 m -79.22 145.96 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.375 177.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -134.51 119.05 18.0 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 p -82.94 111.17 18.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.084 0.469 . . . . 0.0 111.126 -175.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.572 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.5 mt -86.0 131.26 34.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.801 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 32.6 ttp180 -89.0 103.96 16.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 10' ' ' LEU . 3.9 mm -90.58 120.58 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.056 -177.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -76.99 108.57 10.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.277 0.56 . . . . 0.0 109.725 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' A' ' 15' ' ' PRO . 82.0 mt -72.67 140.94 81.88 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.619 -171.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 14' ' ' ILE . 24.3 Cg_exo -58.86 156.05 35.12 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.988 2.459 . . . . 0.0 111.789 174.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.01 -29.4 64.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.59 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -85.11 -39.35 18.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.637 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.02 135.7 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.564 -177.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 133.25 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.998 0.427 . . . . 0.0 111.439 -177.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -71.57 83.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 171.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -145.1 178.5 8.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.965 -168.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.56 -28.06 69.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.88 0.371 . . . . 0.0 110.031 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.11 -41.51 83.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.355 0.598 . . . . 0.0 110.25 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.9 tt -63.01 -42.12 99.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.653 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.6 tttt -60.25 -53.1 61.75 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.371 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.8 m -65.1 -34.53 71.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -173.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -71.44 -36.33 71.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.749 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.0 mt -74.41 -29.82 61.67 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.585 0.231 . . . . 0.0 110.816 177.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.518 HD11 ' HE2' ' A' ' 25' ' ' LYS . 22.1 mt -65.63 -5.1 7.36 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.593 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 44.7 mt-10 -99.2 13.8 31.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 111.038 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.607 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 13.5 m -95.55 143.93 26.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -176.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -71.51 119.2 15.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.084 -0.385 . . . . 0.0 110.878 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.493 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 104.68 9.52 35.07 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.388 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.607 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 34.0 m -83.72 141.62 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.147 0.499 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 32.5 mmmt -117.46 -31.33 5.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.395 174.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -170.21 146.71 3.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.356 -175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.494 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 83.7 t -129.59 114.01 29.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.032 0.444 . . . . 0.0 110.045 177.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 6.8 tt -105.31 132.19 51.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.943 -178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -95.98 128.57 47.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.992 0.425 . . . . 0.0 110.257 176.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.18 87.19 2.71 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.588 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.504 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 39.8 mt-10 -61.24 -33.21 73.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.097 -177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.84 -29.61 70.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.556 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -95.81 -7.39 37.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.361 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.2 t60 53.26 34.7 18.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 122.019 0.914 . . . . 0.0 109.24 -171.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.425 ' HA ' HG13 ' A' ' 14' ' ' ILE . 15.7 m -143.28 159.57 42.09 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.922 -175.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -107.13 157.97 17.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.009 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.572 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 96.6 m-85 -121.89 103.36 8.79 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 171.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 37' ' ' VAL . 48.1 t -100.91 111.62 31.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.08 -176.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 85.0 mttt -78.68 121.24 24.45 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.636 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 46.7 pt -103.82 156.42 5.5 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 CA-C-O 121.703 0.763 . . . . 0.0 111.096 -177.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.599 ' HB3' HG12 ' A' ' 54' ' ' VAL . 16.0 t70 -89.47 98.77 11.95 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.905 -1.498 . . . . 0.0 108.622 175.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 m -66.06 -6.72 13.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.925 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -88.08 -16.16 34.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.599 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.3 p -119.14 -33.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.493 HG21 ' HA3' ' A' ' 33' ' ' GLY . 12.2 t -134.65 -176.93 4.39 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.316 0.579 . . . . 0.0 112.11 -172.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.523 ' O ' HG12 ' A' ' 60' ' ' VAL . 29.9 t30 -138.97 142.48 38.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.136 -174.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.638 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 25.5 ttp180 -47.07 -54.83 9.47 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -172.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -64.57 -43.1 94.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.947 0.403 . . . . 0.0 110.968 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.16 -50.28 64.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.245 -176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.539 HG11 HG21 ' A' ' 50' ' ' ILE . 14.4 p -70.02 -33.58 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.382 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.638 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 7.3 tm-20 -55.87 -43.48 77.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.141 0.576 . . . . 0.0 109.81 174.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.56 -43.62 89.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.624 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.56 90.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.08 -41.31 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.28 174.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.62 -42.11 74.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.699 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -59.76 -35.09 73.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.031 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.18 -29.58 69.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.221 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.47 -26.75 30.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.81 0.338 . . . . 0.0 110.709 175.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.02 178.326 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.66 0.267 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -83.5 64.97 4.21 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.188 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -96.16 165.54 12.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -83.07 132.68 49.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.509 ' O ' HG22 ' A' ' 7' ' ' VAL . 16.2 Cg_exo -66.33 138.81 52.31 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.527 2.152 . . . . 0.0 111.93 -177.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 8.4 Cg_exo -71.69 15.9 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.922 2.415 . . . . 0.0 112.527 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.415 ' CD1' ' HD3' ' A' ' 53' ' ' LYS . 36.5 m-85 -105.72 -2.6 23.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.181 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 4' ' ' PRO . 6.4 m -66.74 130.79 32.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.288 0.566 . . . . 0.0 111.766 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -124.7 120.74 32.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.466 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 m -89.76 111.17 22.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.069 0.462 . . . . 0.0 110.542 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.8 mt -88.05 131.57 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.289 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 53.1 ttp180 -93.78 107.36 19.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.032 0.444 . . . . 0.0 109.908 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -96.14 132.24 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.446 -176.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -79.82 108.84 13.7 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' A' ' 15' ' ' PRO . 83.7 mt -78.43 139.93 59.92 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.309 -175.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 14' ' ' ILE . 11.7 Cg_exo -57.72 134.65 64.29 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.373 2.048 . . . . 0.0 110.278 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.4 -25.58 66.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.665 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -80.91 -31.7 35.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.767 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.98 133.73 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.064 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.38 142.37 31.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.056 0.455 . . . . 0.0 111.186 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.34 90.22 7.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.872 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -141.74 -173.72 3.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -174.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.42 -30.0 71.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.565 0.222 . . . . 0.0 111.006 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.81 96.72 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.145 0.498 . . . . 0.0 110.315 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.4 tt -60.65 -44.72 96.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.772 174.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.604 ' HE2' HD11 ' A' ' 29' ' ' LEU . 82.3 tttt -58.07 -53.23 60.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.539 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.48 -36.56 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -173.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 27' ' ' ARG . 6.5 ptp180 -68.56 -35.34 77.27 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.449 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.586 ' O ' HG11 ' A' ' 34' ' ' VAL . 32.1 mt -76.12 -30.66 58.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.692 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD11 ' HE2' ' A' ' 25' ' ' LYS . 16.1 mt -63.77 -12.22 33.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.448 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -93.7 10.97 30.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.83 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.579 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 21.1 m -89.83 141.56 28.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.038 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.4 110.71 3.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.958 0.409 . . . . 0.0 111.168 -175.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 109.77 6.6 28.39 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.636 178.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.586 HG11 ' O ' ' A' ' 28' ' ' LEU . 33.2 m -78.38 144.64 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.998 0.427 . . . . 0.0 110.851 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -114.77 -34.37 5.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.237 173.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -169.53 140.89 2.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.925 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 25' ' ' LYS . 90.1 t -118.92 121.34 66.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.179 0.514 . . . . 0.0 110.598 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 6.7 mp -105.51 140.41 38.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.955 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.6 mp -103.98 131.29 53.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.074 174.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.26 85.5 2.24 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 170.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -62.07 -42.44 99.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.71 -169.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -66.19 -28.61 68.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.695 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -90.66 -15.46 30.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.039 0.447 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.441 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 4.1 t60 60.9 39.17 17.12 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.357 -174.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.4 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.4 t -139.02 160.52 39.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.965 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -120.0 149.77 41.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.075 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.575 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 90.3 m-85 -116.56 103.7 10.67 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 172.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.474 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 61.5 t -97.86 109.26 23.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.424 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HG2' ' HB ' ' A' ' 7' ' ' VAL . 15.7 ttmm -80.08 116.5 20.23 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.452 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.622 HG21 HG11 ' A' ' 60' ' ' VAL . 5.5 pt -106.05 169.07 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.697 0.76 . . . . 0.0 112.386 -176.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.539 ' HB3' HG12 ' A' ' 54' ' ' VAL . 11.5 t70 -99.21 96.76 7.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.355 172.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.609 ' HA ' ' O ' ' A' ' 55' ' ' THR . 60.7 p -66.44 -6.31 14.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -172.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 2.1 mmmp? -80.95 -43.13 20.19 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.8 p -86.33 -31.35 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.609 ' O ' ' HA ' ' A' ' 52' ' ' SER . 12.7 t -147.51 154.95 41.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.504 0.192 . . . . 0.0 110.632 -174.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.585 ' O ' HG12 ' A' ' 60' ' ' VAL . 29.5 m-80 -105.3 161.23 14.47 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG3' HD13 ' A' ' 10' ' ' LEU . 48.5 ttp180 -46.68 -52.51 13.64 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -52.06 56.98 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.464 -167.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 11.5 pt-20 -58.29 -46.92 85.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.187 0.517 . . . . 0.0 111.195 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.622 HG11 HG21 ' A' ' 50' ' ' ILE . 12.4 p -74.04 -35.35 41.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.496 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -45.36 78.23 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.26 0.624 . . . . 0.0 109.846 173.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 61.3 tt0 -55.02 -48.83 72.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.321 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.88 90.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.249 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -62.03 -49.47 83.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.462 178.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -66.15 -35.24 79.96 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.263 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 99.0 mt-30 -64.79 -27.86 69.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.911 0.386 . . . . 0.0 111.443 177.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.24 -21.36 62.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.3 mt -93.16 -32.31 14.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.436 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.417 -178.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 69.5 mtm . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.923 0.392 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -81.24 59.6 4.77 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.246 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -82.07 58.88 4.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.373 0.606 . . . . 0.0 110.377 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.91 113.74 54.85 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.106 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.504 ' O ' HG22 ' A' ' 7' ' ' VAL . 24.6 Cg_exo -65.18 157.54 56.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.584 2.189 . . . . 0.0 111.476 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -80.05 8.1 4.27 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.68 2.254 . . . . 0.0 111.437 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -92.91 -13.62 28.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.607 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.704 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 34.7 m -80.36 150.63 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-O 121.394 0.616 . . . . 0.0 112.226 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 21.4 t -133.95 125.72 28.83 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -87.62 108.45 19.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.217 0.532 . . . . 0.0 110.977 -175.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.4 mt -95.17 129.41 42.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.063 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 11' ' ' ARG . 41.8 ttm180 -95.22 109.26 21.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.749 0.309 . . . . 0.0 110.192 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -103.74 138.27 28.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.578 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -77.87 118.08 19.85 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 174.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' A' ' 45' ' ' SER . 97.3 mt -80.91 136.56 50.75 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.776 0.322 . . . . 0.0 111.274 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.436 ' HD3' HD13 ' A' ' 68' ' ' LEU . 12.4 Cg_exo -63.26 151.01 86.98 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.892 2.395 . . . . 0.0 111.384 176.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.62 -24.53 56.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.061 0.457 . . . . 0.0 110.819 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.04 -29.37 31.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.781 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -86.4 131.98 33.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.86 131.08 38.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.159 0.505 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.64 91.38 6.95 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.45 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -164.61 -166.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -54.69 -29.51 53.22 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.615 0.245 . . . . 0.0 111.488 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.09 93.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.13 0.49 . . . . 0.0 110.887 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.3 tt -66.44 -38.74 88.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.482 0.658 . . . . 0.0 109.538 175.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 79.7 tttt -60.0 -53.12 61.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.983 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -65.13 -35.83 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -174.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 10.8 ptp180 -67.15 -39.82 86.6 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.426 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' HB2' HG21 ' A' ' 37' ' ' VAL . 36.2 mt -76.07 -29.75 58.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.253 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.515 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.6 mt -59.21 -21.61 59.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.605 0.24 . . . . 0.0 111.462 176.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -86.06 14.68 5.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.393 . . . . 0.0 111.502 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.9 m -98.65 136.91 38.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.15 117.24 6.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.785 -173.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.63 3.21 43.44 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.529 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.3 t -83.52 130.23 36.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 117.172 0.486 . . . . 0.0 111.122 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -96.25 -41.23 8.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.055 175.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -165.63 140.73 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.328 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.534 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 58.9 t -114.89 122.25 68.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.483 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 8.6 mp -103.38 140.36 37.55 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.789 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.93 127.31 64.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 173.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.69 91.65 3.64 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.668 173.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -17.94 63.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.824 0.345 . . . . 0.0 110.692 -177.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.84 -40.03 91.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.467 0.651 . . . . 0.0 109.79 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -103.82 -3.56 24.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.546 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.9 t60 51.2 42.28 28.66 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.62 -172.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.436 ' HA ' HG13 ' A' ' 14' ' ' ILE . 19.8 m -139.4 158.56 43.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.849 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.65 140.45 40.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.496 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 67.4 m-85 -106.88 102.79 12.13 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 169.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG13 HG22 ' A' ' 37' ' ' VAL . 28.6 t -96.54 112.11 28.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.951 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 8' ' ' SER . 63.0 mttm -84.09 116.91 23.11 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.736 HG21 HG11 ' A' ' 60' ' ' VAL . 33.7 pt -104.51 166.26 3.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.365 0.602 . . . . 0.0 111.15 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.515 ' HB3' HG12 ' A' ' 54' ' ' VAL . 14.1 t70 -92.39 102.98 15.46 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.635 174.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 m -69.24 -1.89 9.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.926 -172.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 5.3 mmpt? -89.08 -34.6 16.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.653 0.264 . . . . 0.0 110.887 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG12 ' HB3' ' A' ' 51' ' ' ASP . 11.5 p -96.08 -32.91 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.652 -177.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 t -141.84 169.58 17.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.669 0.271 . . . . 0.0 110.849 -173.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.532 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -121.04 154.79 35.61 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.726 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 23.5 ttp180 -46.97 -54.41 10.18 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -175.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.94 -42.07 97.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.709 0.231 . . . . 0.0 111.403 -168.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 11.5 pt-20 -69.54 -45.67 68.26 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.386 0.613 . . . . 0.0 110.938 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.736 HG11 HG21 ' A' ' 50' ' ' ILE . 13.9 p -73.42 -33.91 41.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.023 -179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 1.9 tm-20 -56.26 -44.41 79.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.865 174.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 36.2 tt0 -55.9 -47.85 76.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.338 174.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.51 80.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.374 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -65.08 -47.68 86.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.469 178.343 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -63.5 -34.78 78.53 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.224 -179.031 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.429 ' HG3' ' HD3' ' A' ' 65' ' ' ARG . 54.1 mt-30 -65.43 -34.17 77.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.598 176.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.63 64.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.0 0.428 . . . . 0.0 110.191 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.436 HD13 ' HD3' ' A' ' 15' ' ' PRO . 62.8 mt -91.0 -24.68 20.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.258 175.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.447 177.484 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.637 0.256 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.86 -55.88 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.08 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.32 -14.09 50.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.236 0.541 . . . . 0.0 110.47 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -92.25 122.61 64.45 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.912 -177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 31.5 Cg_exo -60.2 144.41 99.49 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.408 2.072 . . . . 0.0 111.808 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 5.8 Cg_exo -77.15 23.94 0.51 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.97 2.447 . . . . 0.0 112.919 -177.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -127.07 7.3 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.845 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.593 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 26.7 m -79.99 124.9 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 121.478 0.656 . . . . 0.0 112.105 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' HG12 ' A' ' 50' ' ' ILE . 5.0 m -109.72 122.65 47.96 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 p -88.01 98.3 11.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.856 0.36 . . . . 0.0 111.123 -174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 11.2 mt -79.03 125.95 30.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.973 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -82.75 98.88 9.32 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 174.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 10' ' ' LEU . 8.8 mm -89.95 133.57 31.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.182 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.59 119.24 20.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.152 0.501 . . . . 0.0 110.361 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 15' ' ' PRO . 57.2 mt -73.03 139.64 79.83 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.581 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD3' HD13 ' A' ' 68' ' ' LEU . 23.5 Cg_exo -58.24 158.05 23.68 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.901 2.4 . . . . 0.0 111.557 174.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.26 90.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.63 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -87.17 -20.22 27.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.195 -174.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mp -82.35 138.52 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.696 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.52 145.89 24.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.037 0.446 . . . . 0.0 111.149 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.71 90.99 4.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.753 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -161.27 -176.7 5.56 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.049 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 43.8 tt0 -58.32 -28.13 64.77 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -175.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.77 81.14 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.118 0.485 . . . . 0.0 110.684 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.6 tt -64.52 -40.79 96.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.437 175.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HE2' HD11 ' A' ' 29' ' ' LEU . 77.9 tttt -59.66 -53.13 61.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.191 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.17 -33.12 61.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HD2' HD23 ' A' ' 68' ' ' LEU . 13.0 ptp180 -74.54 -35.0 63.1 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.841 178.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.9 mt -75.5 -28.74 59.29 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.277 -0.264 . . . . 0.0 110.906 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 HD11 ' HE2' ' A' ' 25' ' ' LYS . 23.0 mt -62.33 -10.49 11.3 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.72 0.295 . . . . 0.0 111.568 175.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 27' ' ' ARG . 35.5 mt-10 -90.93 19.76 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.161 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.719 ' O ' HG22 ' A' ' 34' ' ' VAL . 19.7 m -106.74 143.95 34.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.67 0.272 . . . . 0.0 110.935 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.95 112.39 4.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.637 0.256 . . . . 0.0 110.459 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.48 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 110.28 -2.67 29.67 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.315 176.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 31' ' ' THR . 22.5 m -79.49 132.33 32.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 117.416 0.608 . . . . 0.0 111.21 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 66.1 mmtt -103.84 -34.94 8.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.319 174.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -168.32 140.69 2.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.391 -174.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.537 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 60.3 t -119.77 121.42 66.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.134 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 tt -110.78 114.41 27.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.276 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.22 131.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.188 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -114.66 84.32 2.04 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.52 -41.93 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.715 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.99 -39.64 78.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 111.396 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.48 -1.74 57.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.403 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 22.1 t60 52.58 39.4 28.05 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 122.02 0.914 . . . . 0.0 108.813 -171.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.6 m -134.12 175.04 9.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.844 -176.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -145.91 127.86 15.48 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 33.6 m-85 -87.61 104.78 16.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.405 0.621 . . . . 0.0 110.614 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.443 HG22 HG13 ' A' ' 37' ' ' VAL . 60.7 t -94.49 114.79 31.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.071 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 92.5 mttt -81.09 122.0 26.8 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.869 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 1.3 pt -104.14 147.44 10.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.603 -175.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.491 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 21.7 t70 -85.41 99.51 11.24 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.596 171.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 m -67.29 0.8 2.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.967 -174.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 3.2 mmmp? -88.47 -43.93 11.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.702 0.287 . . . . 0.0 110.476 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 51' ' ' ASP . 9.7 p -93.32 -26.83 4.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.685 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.506 ' OG1' ' HB ' ' A' ' 60' ' ' VAL . 14.8 t -142.63 169.04 18.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.733 0.301 . . . . 0.0 110.986 -174.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.479 ' O ' HG12 ' A' ' 60' ' ' VAL . 29.6 m-80 -123.68 163.75 20.47 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.678 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 12.2 ttm180 -46.53 -52.37 13.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.747 0.654 . . . . 0.0 112.577 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -70.4 -48.2 57.26 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.47 -167.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.47 -43.3 90.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.08 0.467 . . . . 0.0 111.13 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.545 ' O ' HD12 ' A' ' 64' ' ' ILE . 7.3 p -69.89 -38.79 76.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.985 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.678 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 2.6 tm-20 -53.23 -44.72 68.29 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.271 0.629 . . . . 0.0 109.593 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 47.1 tt0 -55.81 -49.15 74.02 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.2 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.84 78.97 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.056 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.76 -49.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.332 177.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.495 ' HD3' ' HG3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -64.65 -31.97 73.43 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.64 -179.065 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.495 ' HG3' ' HD3' ' A' ' 65' ' ' ARG . 29.4 mt-30 -65.65 -33.17 75.28 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.659 0.266 . . . . 0.0 111.418 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.4 65.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.091 0.472 . . . . 0.0 110.663 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 ' HD2' ' A' ' 27' ' ' ARG . 38.1 mt -98.68 -23.47 15.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.801 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.011 -177.582 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.711 0.291 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 157.91 -97.95 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.816 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -76.91 79.12 3.48 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.454 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 30.5 tt0 -134.06 133.95 22.51 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.525 -167.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.9 Cg_exo -67.39 138.21 45.64 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.531 2.154 . . . . 0.0 111.462 176.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 1.8 Cg_endo -78.28 29.74 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.609 2.206 . . . . 0.0 112.969 -175.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -131.51 2.31 4.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.986 0.422 . . . . 0.0 110.303 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.641 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 30.4 m -87.93 164.62 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.496 -179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.424 ' HB2' HG12 ' A' ' 50' ' ' ILE . 13.3 m -135.39 117.56 15.49 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 167.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -82.44 98.98 9.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.857 0.361 . . . . 0.0 110.984 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.606 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.0 mt -87.82 137.18 32.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.814 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -103.48 101.52 11.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.9 0.381 . . . . 0.0 110.088 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -91.43 138.16 20.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.951 -178.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.59 108.77 16.22 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.452 HG23 ' HD2' ' A' ' 15' ' ' PRO . 79.5 mt -66.65 140.05 96.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.78 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 14' ' ' ILE . 13.6 Cg_exo -62.12 150.44 86.65 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.609 2.206 . . . . 0.0 110.754 173.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 -22.67 57.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.872 0.368 . . . . 0.0 111.283 -177.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.77 -30.59 20.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.419 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -80.49 134.17 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.934 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.65 138.73 41.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.251 0.548 . . . . 0.0 111.473 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.53 92.73 9.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.878 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -159.79 -174.56 4.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.811 -176.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 45.0 tt0 -59.28 -28.73 67.01 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.608 0.242 . . . . 0.0 111.261 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.45 85.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.073 0.463 . . . . 0.0 110.606 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.46 -39.73 94.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.299 0.571 . . . . 0.0 109.657 175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.638 ' HE2' HD11 ' A' ' 29' ' ' LEU . 78.3 tttt -61.21 -53.43 56.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.0 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.8 m -64.88 -32.34 57.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.008 -174.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 8.7 ptp180 -71.21 -37.76 72.07 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.3 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 85.2 mt -77.12 -28.55 54.42 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.629 0.252 . . . . 0.0 111.139 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.638 HD11 ' HE2' ' A' ' 25' ' ' LYS . 25.7 mt -63.2 -4.71 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.506 175.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.68 19.38 12.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.625 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.614 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 15.1 m -98.23 143.65 28.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.69 115.71 11.2 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.077 0.465 . . . . 0.0 109.899 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' HA3' ' CG2' ' A' ' 55' ' ' THR . . . 102.34 21.86 10.33 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.611 177.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.614 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 31.2 m -88.2 144.43 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.192 0.52 . . . . 0.0 111.433 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -114.89 -44.5 3.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.684 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.564 ' OE2' ' HE3' ' A' ' 25' ' ' LYS . 9.9 tp10 -161.21 146.92 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.037 -174.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.546 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 67.5 t -127.78 112.3 27.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 177.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 10.5 tt -106.45 121.64 44.69 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -86.61 121.61 37.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.014 0.435 . . . . 0.0 109.903 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.62 94.77 5.0 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.312 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -22.07 62.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.957 0.408 . . . . 0.0 110.908 -176.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.53 -18.67 65.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.128 0.49 . . . . 0.0 110.294 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -111.32 -12.03 14.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.136 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.417 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 42.7 t60 48.66 41.95 18.57 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.74 -165.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -135.81 160.76 37.56 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.163 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -112.58 122.49 47.84 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.322 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 41.7 m-85 -89.06 101.72 14.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.558 0.694 . . . . 0.0 109.133 171.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.497 HG13 HG22 ' A' ' 37' ' ' VAL . 27.4 t -100.46 109.8 25.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.509 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 84.3 mttt -84.94 118.3 24.46 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.702 HG21 HG11 ' A' ' 60' ' ' VAL . 45.5 pt -104.22 169.01 2.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.761 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 53' ' ' LYS . 15.4 t70 -97.95 103.8 15.77 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.244 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.9 t -66.05 -12.82 57.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.724 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.544 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 12.3 mmmm -76.57 -39.89 51.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.99 0.424 . . . . 0.0 110.582 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 51' ' ' ASP . 10.3 p -99.81 -28.37 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.413 ' CG2' ' HA3' ' A' ' 33' ' ' GLY . 14.5 t -141.85 177.92 7.86 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.028 0.442 . . . . 0.0 111.74 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.504 ' O ' HG12 ' A' ' 60' ' ' VAL . 55.8 t30 -132.28 146.35 51.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.841 -176.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.602 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 41.0 ttp180 -46.4 -55.19 7.73 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -172.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -66.75 -41.74 87.31 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.793 -172.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.4 -52.62 62.87 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.562 0.696 . . . . 0.0 110.723 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.702 HG11 HG21 ' A' ' 50' ' ' ILE . 12.8 p -69.91 -35.21 63.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.75 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.602 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.2 tm-20 -53.86 -45.59 71.01 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.14 0.576 . . . . 0.0 109.888 174.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 62.3 tt0 -59.42 -43.04 93.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.234 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.02 96.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.134 0.492 . . . . 0.0 110.765 175.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -60.56 -49.36 84.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.695 178.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -61.4 -36.08 79.31 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.332 -178.54 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.516 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 28.5 mt-30 -62.08 -35.0 77.34 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.76 -21.75 66.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.889 0.376 . . . . 0.0 110.955 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.4 mt -98.75 -24.44 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.966 -175.729 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 175.51 -42.11 0.11 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.599 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.9 104.7 8.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.027 0.441 . . . . 0.0 111.114 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -129.76 91.95 38.82 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' TYR . 18.4 Cg_endo -62.77 154.68 64.31 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.627 2.218 . . . . 0.0 112.319 -176.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -71.95 25.07 0.25 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.289 2.659 . . . . 0.0 112.947 -178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.418 ' H ' ' C ' ' A' ' 4' ' ' PRO . 31.9 m-85 -125.65 5.28 7.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.958 0.409 . . . . 0.0 110.006 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.68 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 19.6 m -75.57 139.94 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-O 121.498 0.666 . . . . 0.0 111.957 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 t -130.2 127.34 39.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 172.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -87.26 114.7 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.919 0.39 . . . . 0.0 110.533 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.3 mt -94.23 134.22 36.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.64 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 11' ' ' ARG . 43.0 ttm180 -97.22 100.22 11.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 176.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 mm -90.93 127.09 43.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.336 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.04 118.26 18.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.27 0.557 . . . . 0.0 109.724 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.456 HG23 ' HD2' ' A' ' 15' ' ' PRO . 75.8 mt -87.68 140.54 31.56 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.169 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.469 ' HD3' HD13 ' A' ' 68' ' ' LEU . 13.4 Cg_exo -60.06 141.52 96.46 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.439 2.093 . . . . 0.0 110.638 175.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.68 -27.02 67.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.837 0.351 . . . . 0.0 110.988 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -77.68 -40.06 42.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.633 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -76.45 126.1 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.006 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.43 137.78 46.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.122 0.487 . . . . 0.0 111.257 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.577 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -85.26 99.18 10.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.72 175.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -155.86 -169.61 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.831 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.69 -30.61 70.85 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -40.76 86.57 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.337 0.589 . . . . 0.0 110.73 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.658 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.2 tt -62.04 -45.45 93.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.402 174.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.596 ' HE2' HD11 ' A' ' 29' ' ' LEU . 81.6 tttt -58.06 -53.55 57.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.686 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -66.38 -33.21 61.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -172.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 20.6 ptp180 -73.17 -34.86 66.27 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.301 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 28.2 mt -74.21 -29.85 61.92 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.623 176.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.596 HD11 ' HE2' ' A' ' 25' ' ' LYS . 19.5 mt -64.62 -8.62 14.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.733 177.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -98.15 11.05 39.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.587 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 7.0 m -93.25 145.3 24.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.196 -0.315 . . . . 0.0 110.177 -175.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.19 117.66 8.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.864 0.364 . . . . 0.0 111.458 -174.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.39 6.46 55.19 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.702 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.613 HG11 ' O ' ' A' ' 28' ' ' LEU . 23.1 m -78.86 138.34 20.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.071 0.463 . . . . 0.0 110.679 178.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -115.12 -28.77 6.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.209 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 49' ' ' LYS . 9.4 tt0 -169.93 143.38 2.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.196 -175.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 48' ' ' VAL . 86.4 t -127.81 125.18 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.795 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mp -109.17 140.56 42.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.501 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.02 127.77 53.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.36 86.82 2.63 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.41 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.577 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.13 -25.7 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.652 -174.027 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.89 -27.03 64.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.025 0.441 . . . . 0.0 110.147 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -98.82 -6.45 29.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.405 0.621 . . . . 0.0 109.672 174.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.2 t60 47.8 41.34 14.04 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.639 -170.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.408 ' HA ' HG13 ' A' ' 14' ' ' ILE . 42.1 m -141.23 164.09 31.2 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.203 -176.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.81 142.02 39.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.183 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 67.4 m-85 -106.91 103.54 13.0 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 171.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.471 HG13 HG22 ' A' ' 37' ' ' VAL . 26.1 t -98.61 122.61 50.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.893 -175.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 28.1 mmtp -83.33 109.46 17.3 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.641 176.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.68 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 32.4 pt -105.35 161.34 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 CA-C-O 121.503 0.668 . . . . 0.0 111.387 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' HB3' HG12 ' A' ' 54' ' ' VAL . 14.5 t70 -96.37 104.72 16.71 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.613 173.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 m -69.78 -2.33 11.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -172.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -89.13 -41.74 12.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.796 0.332 . . . . 0.0 110.447 177.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.3 p -91.09 -26.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.763 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 t -137.31 179.45 6.39 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.285 0.564 . . . . 0.0 111.455 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' O ' HG12 ' A' ' 60' ' ' VAL . 49.1 t30 -136.49 145.03 44.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.826 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.595 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 38.3 ttp180 -45.74 -54.31 8.1 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -173.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.94 -42.74 89.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.096 0.407 . . . . 0.0 111.033 -174.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.75 -52.83 63.44 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.521 0.677 . . . . 0.0 110.976 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.566 HG11 HG21 ' A' ' 50' ' ' ILE . 14.4 p -70.85 -35.62 60.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.341 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.595 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 7.5 tm-20 -56.37 -45.81 80.34 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 7.3 tp60 -54.59 -44.86 73.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.193 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.48 92.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.735 0.302 . . . . 0.0 110.948 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.25 -48.77 87.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.71 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.522 ' HD2' ' OE1' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.39 -31.68 72.91 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.342 -178.772 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 48.2 mt-30 -65.69 -30.5 71.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.741 0.305 . . . . 0.0 111.47 175.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.93 -21.25 66.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.343 0.592 . . . . 0.0 110.184 173.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.469 HD13 ' HD3' ' A' ' 15' ' ' PRO . 50.4 mt -91.91 -33.52 14.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.38 175.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 66' ' ' GLN . 72.5 mm-40 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.699 -0.667 . . . . 0.0 111.421 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 120.782 0.325 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 86.98 -132.48 11.19 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.57 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -82.47 68.84 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 110.86 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -126.92 142.31 43.18 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.121 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 65.6 Cg_endo -79.56 148.62 20.68 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.61 2.207 . . . . 0.0 111.814 177.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 5.8 Cg_exo -76.16 25.71 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.883 2.389 . . . . 0.0 112.657 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -117.23 10.92 13.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.141 0.496 . . . . 0.0 110.24 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 20.9 m -80.61 139.9 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.362 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -123.42 120.15 32.13 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.7 m -79.96 105.62 11.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.003 0.43 . . . . 0.0 110.977 -176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.432 HD22 ' HG3' ' A' ' 57' ' ' ARG . 11.1 mt -92.66 129.36 38.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -91.81 107.22 19.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mm -90.58 124.07 43.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -76.73 108.32 9.66 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 15' ' ' PRO . 85.5 mt -78.99 140.2 57.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.412 -171.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HD2' HG23 ' A' ' 14' ' ' ILE . 14.2 Cg_exo -59.9 150.94 75.0 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.694 2.263 . . . . 0.0 110.988 175.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.35 -31.67 64.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.211 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -77.72 -37.16 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.644 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.402 HG21 HD12 ' A' ' 68' ' ' LEU . 1.6 mp -72.83 133.17 32.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.901 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.23 135.01 35.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.099 0.476 . . . . 0.0 111.112 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.581 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -85.69 91.9 8.43 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.933 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -152.54 -172.77 4.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.289 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 36.6 tt0 -57.58 -30.27 65.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -62.26 -36.66 82.73 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.168 0.509 . . . . 0.0 110.682 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.4 tt -65.6 -39.1 91.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.637 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.1 tttt -61.67 -52.98 62.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.845 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 23' ' ' ALA . 26.3 m -64.0 -32.9 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -72.66 -38.08 67.75 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.527 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 29.8 mt -73.94 -29.77 62.2 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.482 0.182 . . . . 0.0 111.073 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.637 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.4 mt -64.69 -4.9 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -98.03 5.66 48.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.644 0.259 . . . . 0.0 111.082 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.597 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 21.6 m -85.2 144.71 27.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.774 0.321 . . . . 0.0 110.376 -174.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.98 109.13 2.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.901 0.382 . . . . 0.0 111.454 -176.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 104.08 24.17 7.75 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.597 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 27.2 m -91.53 138.09 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.279 0.561 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -113.12 -36.85 4.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.994 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -168.23 142.49 3.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.58 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.536 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 94.2 t -129.68 121.72 53.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.08 0.467 . . . . 0.0 110.56 -178.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 11.0 mp -109.37 133.35 53.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.05 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -94.75 128.32 46.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 171.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.43 87.62 2.7 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.554 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 1.3 tm-20 -64.96 -26.92 68.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.874 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.82 -34.03 73.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.704 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -100.07 -7.2 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.857 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.9 t60 50.45 40.34 22.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.644 -169.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.414 ' HA ' HG13 ' A' ' 14' ' ' ILE . 18.4 m -137.73 159.4 42.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.674 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.97 133.54 53.07 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.49 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.442 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 62.0 m-85 -99.99 102.8 14.27 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.351 174.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -101.24 111.79 32.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.046 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -80.3 118.9 22.37 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.703 HG21 HG11 ' A' ' 60' ' ' VAL . 42.7 pt -104.15 168.14 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.756 0 CA-C-O 121.42 0.629 . . . . 0.0 111.599 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.534 ' OD2' ' HB2' ' A' ' 53' ' ' LYS . 33.2 t70 -96.03 104.32 16.26 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.211 -1.359 . . . . 0.0 109.5 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -71.79 3.43 4.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.189 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 11.6 mmmm -88.66 -47.31 8.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.912 0.387 . . . . 0.0 110.568 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -91.31 -35.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.455 HG21 ' HA3' ' A' ' 33' ' ' GLY . 15.2 t -136.18 170.35 16.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.009 0.433 . . . . 0.0 111.58 -170.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.525 ' O ' HG12 ' A' ' 60' ' ' VAL . 19.0 m-80 -118.24 159.19 23.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.486 177.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.594 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 55.8 ttp180 -47.19 -52.7 15.04 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -175.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -76.28 -39.19 54.9 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.941 -0.704 . . . . 0.0 111.003 -167.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.74 -49.96 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.308 0.575 . . . . 0.0 110.276 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.703 HG11 HG21 ' A' ' 50' ' ' ILE . 13.1 p -71.82 -36.59 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.642 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.594 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 5.1 tm-20 -58.3 -46.74 85.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.874 0.369 . . . . 0.0 110.007 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.93 -39.77 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.384 178.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.26 93.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.563 176.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.25 -42.56 93.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.009 173.56 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' NE ' ' HG3' ' A' ' 69' ' ' GLU . 1.9 tmt_? -56.73 -42.08 78.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.409 176.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.17 -33.86 74.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.155 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.09 -21.76 64.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.848 0.356 . . . . 0.0 111.21 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD12 HG21 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -91.91 -19.85 22.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.273 173.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG3' ' NE ' ' A' ' 65' ' ' ARG . 14.7 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.745 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.77 0.319 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 85.19 -156.17 30.61 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.667 -177.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 61.21 67.65 0.78 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.894 0.378 . . . . 0.0 110.642 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' HB3' HG11 ' A' ' 7' ' ' VAL . 4.2 mp0 -61.51 120.74 58.59 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.033 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 6' ' ' TYR . 34.8 Cg_endo -68.11 158.42 57.51 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.744 2.296 . . . . 0.0 111.679 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.82 26.57 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.092 2.528 . . . . 0.0 112.865 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.437 ' H ' ' C ' ' A' ' 4' ' ' PRO . 89.9 m-85 -123.43 9.5 9.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.118 0.485 . . . . 0.0 109.811 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 3.7 m -69.31 100.91 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.818 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -82.38 105.04 13.12 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -77.74 109.77 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.998 0.427 . . . . 0.0 110.771 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.664 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 5.6 mt -85.79 157.51 20.22 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -122.15 98.78 6.09 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.2 mm -89.8 133.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.484 -173.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -76.68 110.23 11.09 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.428 ' HB ' ' CD2' ' A' ' 44' ' ' HIS . 63.6 mt -69.44 136.93 88.54 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.316 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD3' HD13 ' A' ' 68' ' ' LEU . 22.2 Cg_exo -57.64 152.32 49.36 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.632 2.221 . . . . 0.0 111.017 175.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.11 77.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.303 0.573 . . . . 0.0 111.027 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -86.39 -36.94 18.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.006 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.22 132.19 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.79 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.43 142.9 38.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.232 0.539 . . . . 0.0 111.69 -176.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.29 86.9 7.14 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.036 176.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -155.0 -168.16 2.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.567 -174.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.78 -27.99 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.536 0.208 . . . . 0.0 111.005 -177.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.46 88.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.17 0.51 . . . . 0.0 110.562 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.532 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.2 tt -66.29 -42.4 88.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.63 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HE2' HD11 ' A' ' 29' ' ' LEU . 77.8 tttt -58.49 -53.36 59.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.342 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.3 -32.11 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 -173.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -69.4 -38.9 78.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.116 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 32.4 mt -76.13 -29.58 57.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.965 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.608 HD11 ' HE2' ' A' ' 25' ' ' LYS . 19.4 mt -61.3 -12.63 14.36 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.714 0.293 . . . . 0.0 111.547 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -96.86 12.81 30.86 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.719 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.1 m -95.84 143.09 27.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -63.94 111.76 2.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.889 0.376 . . . . 0.0 111.684 -174.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.478 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 106.36 1.05 37.93 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.205 175.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 31' ' ' THR . 28.4 m -78.33 129.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 117.304 0.552 . . . . 0.0 111.016 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 31.9 mmmt -105.56 -25.31 12.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -169.49 142.22 2.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.041 -172.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 25' ' ' LYS . 50.5 t -131.62 114.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 7.9 tt -113.46 117.09 30.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.49 -175.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.0 123.26 33.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.169 0.509 . . . . 0.0 110.473 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.48 95.79 5.79 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -31.13 65.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.08 -172.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.25 -43.13 99.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.55 -18.1 58.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.761 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 29.9 t60 53.08 41.79 32.17 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -167.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.408 ' HA ' HG13 ' A' ' 14' ' ' ILE . 24.9 m -136.68 163.49 30.46 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.478 -175.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.449 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -115.67 125.31 52.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.419 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.664 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 70.7 m-85 -89.28 103.06 15.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.495 0.664 . . . . 0.0 109.342 173.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.465 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 54.9 t -104.86 109.47 27.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.807 -177.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.475 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 90.9 mttt -83.99 118.86 24.31 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.615 HG21 HG11 ' A' ' 60' ' ' VAL . 2.2 pt -105.28 162.4 4.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-O 121.57 0.7 . . . . 0.0 110.858 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.57 ' HB3' HG12 ' A' ' 54' ' ' VAL . 19.7 t70 -93.13 97.55 10.74 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.619 174.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' THR . 37.1 p -68.24 0.79 3.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.879 -174.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 31.4 mmmt -88.81 -36.1 16.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.252 176.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.57 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.5 p -95.49 -30.37 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.011 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.478 HG21 ' HA3' ' A' ' 33' ' ' GLY . 11.3 t -140.69 179.24 6.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 111.021 -175.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.571 ' O ' HG12 ' A' ' 60' ' ' VAL . 54.6 t30 -128.43 143.91 51.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -178.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.79 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 20.5 ttp180 -45.72 -54.44 7.87 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.511 0.507 . . . . 0.0 111.986 -176.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -47.11 87.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.6 0.238 . . . . 0.0 111.367 -173.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.28 -53.58 50.56 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.393 0.616 . . . . 0.0 111.006 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.615 HG11 HG21 ' A' ' 50' ' ' ILE . 14.8 p -69.36 -33.9 59.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.533 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.79 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.8 tm-20 -54.4 -48.28 71.77 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.414 0.686 . . . . 0.0 110.241 176.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.56 -37.54 87.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.476 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.73 88.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.585 175.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.567 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.8 OUTLIER -62.74 -43.56 98.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.209 173.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -57.88 -39.46 77.9 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.391 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -65.62 -34.2 77.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.342 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.62 -21.79 62.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.457 . . . . 0.0 110.539 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 15' ' ' PRO . 71.1 mt -88.9 -35.74 16.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.193 174.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.561 178.75 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 71.4 mtm . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.754 0.311 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -164.46 144.12 9.12 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.135 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.461 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 64.6 tttp -79.09 -24.28 43.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.17 0.51 . . . . 0.0 109.731 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -90.44 109.08 31.34 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.301 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 2' ' ' LYS . 62.1 Cg_endo -82.94 154.4 14.92 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.659 2.24 . . . . 0.0 111.843 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 4.1 Cg_exo -76.76 36.42 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.084 2.523 . . . . 0.0 113.305 -175.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -133.21 10.29 4.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.092 0.472 . . . . 0.0 110.049 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.0 m -84.41 149.98 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.952 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.463 ' HB3' HG12 ' A' ' 50' ' ' ILE . 36.4 t -133.99 111.06 10.1 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 168.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -77.93 114.93 17.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.921 0.391 . . . . 0.0 110.753 -176.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.654 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.2 mt -82.44 162.71 22.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.761 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -122.69 97.62 5.54 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -90.79 126.4 43.54 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.464 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 8.0 pt-20 -75.64 113.9 13.61 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 175.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.516 HG23 ' HD2' ' A' ' 15' ' ' PRO . 91.5 mt -79.69 141.3 55.72 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.737 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 14' ' ' ILE . 17.8 Cg_exo -58.31 143.57 97.16 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.304 2.003 . . . . 0.0 110.855 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.68 -19.63 64.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.11 0.481 . . . . 0.0 110.973 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -83.1 -40.91 19.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.68 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.17 134.93 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.549 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.12 132.9 35.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.12 0.486 . . . . 0.0 110.862 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -81.01 94.68 6.61 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.257 177.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -157.28 -171.1 3.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.706 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 42.0 tt0 -58.22 -30.47 66.52 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.11 89.95 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.232 0.539 . . . . 0.0 110.477 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.1 tt -62.74 -39.96 95.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.617 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.665 ' HE2' HD11 ' A' ' 29' ' ' LEU . 77.0 tttt -60.83 -53.3 58.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.364 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -64.87 -34.96 73.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -172.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -70.65 -38.64 73.85 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.702 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.6 mt -73.62 -30.02 62.72 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.577 0.227 . . . . 0.0 110.934 177.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.665 HD11 ' HE2' ' A' ' 25' ' ' LYS . 23.5 mt -60.47 -23.66 64.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.612 0.244 . . . . 0.0 111.105 175.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -85.56 13.86 6.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.768 0.318 . . . . 0.0 111.475 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.6 m -98.26 135.71 39.5 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.63 115.95 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.556 -173.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' HA3' HG21 ' A' ' 55' ' ' THR . . . 106.4 -2.9 37.13 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.694 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -78.86 122.41 33.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.839 0.352 . . . . 0.0 111.363 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -94.22 -31.35 14.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.594 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -168.14 146.23 4.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.985 -174.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.553 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 96.0 t -130.0 113.67 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.062 0.458 . . . . 0.0 109.784 178.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 7.2 tt -106.83 119.07 38.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.046 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.412 HG23 ' HB1' ' A' ' 20' ' ' ALA . 1.7 mp -80.03 118.55 27.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.078 0.466 . . . . 0.0 110.06 177.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.35 87.93 3.76 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 172.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.64 -33.66 76.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.87 -172.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.23 -23.44 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.046 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -101.18 -13.41 18.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.412 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.1 t60 55.71 39.75 30.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.921 -171.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.403 ' HA ' HG13 ' A' ' 14' ' ' ILE . 28.3 t -142.76 159.92 41.32 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.648 -174.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.63 127.75 55.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.852 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 15.0 m-85 -91.85 103.17 15.75 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.2 t -105.13 111.44 34.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.565 -174.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -79.87 121.78 25.85 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.071 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 26.6 pt -104.69 149.97 7.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.639 -178.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.526 ' HB3' HG12 ' A' ' 54' ' ' VAL . 13.6 t70 -86.3 106.25 17.23 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.692 171.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -68.13 -4.83 15.01 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -173.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -89.18 -39.18 13.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.57 0.224 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 51' ' ' ASP . 12.3 p -92.63 -30.87 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.587 -178.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.459 HG21 ' HA3' ' A' ' 33' ' ' GLY . 11.8 t -139.08 -174.93 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.162 0.506 . . . . 0.0 111.673 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 60' ' ' VAL . 48.8 t30 -141.67 151.18 42.79 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.759 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 4.7 ttp180 -47.48 -55.52 8.91 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -62.12 -41.49 98.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 -173.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -65.44 -53.54 41.48 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.452 0.644 . . . . 0.0 110.953 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.566 ' O ' HD12 ' A' ' 64' ' ' ILE . 14.1 p -69.68 -35.47 65.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.067 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.759 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -54.8 -45.01 74.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.53 0.732 . . . . 0.0 109.911 175.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.619 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 7.9 tt0 -56.77 -48.72 77.23 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.092 176.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.73 79.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.31 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -63.62 -48.44 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.594 178.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 5.1 ppt_? -64.29 -35.73 81.78 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 120.421 -0.511 . . . . 0.0 111.427 -178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -64.76 -33.47 76.06 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.565 177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.01 -21.83 65.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.138 0.494 . . . . 0.0 110.562 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.7 mt -94.24 -29.11 15.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.476 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.704 -178.45 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 121.272 0.558 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -168.76 55.04 0.21 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.226 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -56.04 124.74 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.276 -0.462 . . . . 0.0 111.314 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -109.32 102.66 50.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.228 177.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 60.8 Cg_endo -77.79 156.34 31.17 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.563 2.175 . . . . 0.0 111.409 175.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 2.7 Cg_exo -76.04 33.97 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 123.017 2.478 . . . . 0.0 113.027 -177.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -134.57 13.28 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.42 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 20.6 m -78.48 147.33 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.604 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.466 ' HB2' HG12 ' A' ' 50' ' ' ILE . 10.4 m -124.44 116.68 22.93 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 167.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 m -81.45 100.61 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.178 0.513 . . . . 0.0 110.905 -177.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.613 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.6 mt -79.65 149.47 31.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.825 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -112.14 99.76 8.31 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mm -90.17 134.11 30.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.026 -174.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -84.72 108.9 17.66 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.484 HG23 ' HD2' ' A' ' 15' ' ' PRO . 66.5 mt -65.81 139.66 96.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.198 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HD2' HG23 ' A' ' 14' ' ' ILE . 25.2 Cg_exo -56.7 145.64 81.24 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.64 2.227 . . . . 0.0 110.821 176.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.55 -23.96 66.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.626 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -89.18 -32.31 17.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.101 0.476 . . . . 0.0 110.944 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.408 HD13 ' HB2' ' A' ' 15' ' ' PRO . 1.5 mp -77.43 134.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.964 -177.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.07 142.73 30.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.088 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB1' HG23 ' A' ' 39' ' ' ILE . . . -74.27 96.7 2.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 23' ' ' ALA . 32.3 p30 -151.96 -177.23 6.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.402 -176.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.39 -25.76 66.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.373 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -59.73 -42.45 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.111 0.481 . . . . 0.0 110.425 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 7.1 tt -59.39 -45.33 91.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.623 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HG3' ' HB ' ' A' ' 37' ' ' VAL . 81.4 tttt -61.54 -48.12 82.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.548 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.2 m -64.99 -32.18 57.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.405 -176.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 65.6 mtt180 -64.58 -53.12 52.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.117 0.484 . . . . 0.0 110.125 173.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.716 ' O ' HG11 ' A' ' 34' ' ' VAL . 19.0 mt -68.73 -29.48 67.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.622 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.524 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.5 mt -65.9 -6.96 13.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 0.0 111.465 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -106.84 17.02 23.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.21 175.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.56 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 82.6 m -92.08 143.49 26.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.796 0.331 . . . . 0.0 110.318 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.29 107.43 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 111.801 -174.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.34 10.93 28.53 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.947 -0.569 . . . . 0.0 113.111 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.716 HG11 ' O ' ' A' ' 28' ' ' LEU . 32.7 m -80.27 145.23 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.964 0.411 . . . . 0.0 111.126 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HD3' ' HB2' ' A' ' 51' ' ' ASP . 32.2 mmmt -117.02 -31.92 5.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.065 173.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -169.42 141.23 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.178 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.542 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 97.9 t -120.6 130.01 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.361 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 6.5 mp -116.18 141.2 48.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.721 178.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -99.98 133.2 43.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 120.939 0.399 . . . . 0.0 110.288 175.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.28 82.92 1.92 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.413 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' HG3' ' CG2' ' A' ' 39' ' ' ILE . 27.6 mt-10 -58.61 -38.27 77.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.619 -176.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.24 -38.37 90.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.747 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -88.94 -8.13 54.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.102 0.477 . . . . 0.0 110.765 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.464 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 9.8 t60 55.04 42.55 30.84 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.6 -171.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -135.43 175.86 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.559 -172.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.81 136.28 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.93 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.613 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 65.8 m-85 -103.32 104.93 15.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.218 0.532 . . . . 0.0 109.996 174.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.434 HG13 HG22 ' A' ' 37' ' ' VAL . 56.7 t -105.16 113.21 41.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -83.66 122.48 28.67 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.928 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.616 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 5.5 pt -105.5 156.45 6.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.776 -175.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' HD3' ' A' ' 35' ' ' LYS . 34.1 t70 -87.2 99.09 11.69 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.7 p -68.21 1.34 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.13 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 9.3 mmpt? -88.49 -39.14 14.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 176.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG12 ' HB3' ' A' ' 51' ' ' ASP . 7.5 p -91.84 -27.85 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.463 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 t -144.02 176.73 9.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.707 0.289 . . . . 0.0 110.856 -175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -127.29 162.87 25.21 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 173.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.654 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 37.6 ttp180 -46.32 -53.37 10.96 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -175.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.27 -43.69 77.23 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.183 -171.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.73 -52.56 64.59 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.987 0.423 . . . . 0.0 111.036 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.553 ' O ' HD12 ' A' ' 64' ' ' ILE . 14.0 p -67.94 -36.43 75.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.417 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.654 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 6.7 tm-20 -57.35 -47.92 80.36 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.808 0.443 . . . . 0.0 110.174 177.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 35.9 tt0 -57.71 -40.93 80.68 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.244 177.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.81 87.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.661 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -62.08 -50.19 81.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.539 178.121 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -62.56 -35.03 78.19 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.141 -179.051 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 27.6 mt-30 -64.21 -36.46 84.15 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.97 -25.84 65.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.32 0.581 . . . . 0.0 110.062 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.18 -41.45 10.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.374 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 83.3 mtp . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -118.1 -96.03 1.78 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.12 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -129.61 122.25 28.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -127.23 97.09 32.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.913 0.387 . . . . 0.0 111.078 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.78 145.73 76.1 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.895 2.397 . . . . 0.0 111.331 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.22 37.73 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 123.17 2.58 . . . . 0.0 112.85 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -133.07 5.35 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.739 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.649 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.7 m -85.44 139.8 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.729 -0.668 . . . . 0.0 112.711 -175.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.469 ' HB2' HG12 ' A' ' 50' ' ' ILE . 21.8 m -119.29 120.95 38.48 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 164.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 p -85.5 114.8 22.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.031 0.443 . . . . 0.0 111.034 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.655 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 5.2 mt -95.3 144.26 26.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.51 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -104.61 103.74 13.45 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 46' ' ' ALA . 1.1 mm -92.43 131.34 39.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.153 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -76.86 112.26 13.27 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.8 mt -72.68 140.95 81.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 14' ' ' ILE . 16.4 Cg_exo -62.06 152.8 73.36 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.471 2.114 . . . . 0.0 110.787 173.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.43 59.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.18 -35.12 56.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.256 0.55 . . . . 0.0 110.328 176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -77.95 133.25 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.082 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.61 136.19 34.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.326 0.584 . . . . 0.0 111.116 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -84.42 94.28 8.48 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.104 177.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -159.29 -172.74 3.86 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 41.7 tt0 -56.77 -31.18 64.36 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -176.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.67 86.37 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.0 0.429 . . . . 0.0 110.886 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 9.2 tt -64.89 -41.31 95.72 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.621 ' HE2' HD11 ' A' ' 29' ' ' LEU . 80.7 tttt -59.12 -53.01 63.16 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.098 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.56 -34.77 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -173.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -71.51 -37.18 71.24 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.868 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.679 ' O ' HG11 ' A' ' 34' ' ' VAL . 30.6 mt -74.65 -29.05 61.11 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 120.837 0.351 . . . . 0.0 110.752 177.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD11 ' HE2' ' A' ' 25' ' ' LYS . 25.7 mt -65.83 -5.16 8.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 111.257 174.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -97.77 7.87 45.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.047 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.574 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 32.8 m -88.33 143.97 26.69 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 -177.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.47 114.18 4.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.922 0.391 . . . . 0.0 111.292 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.8 24.13 12.47 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.004 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 28' ' ' LEU . 26.8 m -90.49 134.28 29.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.196 0.522 . . . . 0.0 111.028 178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.493 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 71.2 mmtt -106.41 -36.74 6.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.296 174.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -168.74 140.96 2.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.386 -174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.45 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.6 t -123.81 125.8 71.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.998 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 47' ' ' TYR . 9.2 tt -118.18 131.55 56.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.818 -178.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -92.44 121.6 43.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.11 0.481 . . . . 0.0 110.003 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.59 83.04 1.8 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.656 175.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.86 -20.4 65.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.785 0.326 . . . . 0.0 110.631 -178.576 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.0 -29.96 68.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.193 173.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -115.94 0.41 13.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.844 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.417 ' CD2' ' HB ' ' A' ' 14' ' ' ILE . 38.7 t60 48.68 40.77 16.51 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.838 0.828 . . . . 0.0 109.389 -170.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -129.88 164.58 23.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.348 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -118.5 131.81 56.23 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.239 178.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.655 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 7.7 m-85 -99.49 103.41 15.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.474 0.654 . . . . 0.0 109.542 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.86 114.01 41.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.897 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 91.7 mttt -88.21 122.27 31.56 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.418 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.649 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 10.2 pt -104.44 155.52 5.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.67 -173.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.493 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 36.0 t70 -81.7 99.21 8.8 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 170.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 m -69.05 2.0 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.582 -174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -88.13 -43.06 11.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.575 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.4 p -89.82 -32.04 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 t -143.95 179.52 7.13 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.055 -174.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.439 ' O ' HG12 ' A' ' 60' ' ' VAL . 25.1 m-80 -126.99 161.12 29.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.552 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 46.9 ttp180 -46.85 -51.54 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -174.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.2 -41.11 64.17 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.998 -167.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -64.37 -48.16 76.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 50' ' ' ILE . 11.2 p -68.16 -37.89 78.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.325 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -53.35 -46.89 69.71 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.12 0.486 . . . . 0.0 109.777 174.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 8.3 tt0 -54.66 -46.25 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.253 177.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.05 77.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -65.96 -47.64 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.32 177.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 6.8 ppt_? -65.86 -33.05 74.96 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.235 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.1 mt-30 -68.36 -29.44 68.16 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.49 175.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.91 75.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.183 0.516 . . . . 0.0 109.67 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.8 mt -77.58 -26.65 50.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.482 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.816 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 77.98 -110.39 3.03 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.654 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.11 -4.91 28.77 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.212 0.529 . . . . 0.0 109.864 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.411 ' CG ' HG21 ' A' ' 7' ' ' VAL . 30.5 tt0 -113.28 105.25 55.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.719 -177.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.527 ' HG2' ' HE2' ' A' ' 35' ' ' LYS . 39.1 Cg_exo -61.92 152.59 74.02 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.653 2.235 . . . . 0.0 111.915 175.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 7.4 Cg_exo -74.01 9.04 1.82 Allowed 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.068 2.512 . . . . 0.0 112.753 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -111.09 9.32 22.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.94 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.731 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 29.9 m -79.29 149.76 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-O 121.31 0.576 . . . . 0.0 111.898 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.469 ' HB3' HG12 ' A' ' 50' ' ' ILE . 13.2 t -133.76 112.58 11.48 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 168.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -79.2 100.93 7.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.947 0.403 . . . . 0.0 110.702 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.471 HD13 ' HG3' ' A' ' 57' ' ' ARG . 12.6 mt -79.5 127.14 31.76 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.184 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 24.5 ttp180 -87.99 104.58 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -91.76 128.43 43.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.765 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -77.96 108.99 11.62 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.466 HG23 ' HD2' ' A' ' 15' ' ' PRO . 92.7 mt -73.58 139.95 78.25 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.947 -173.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 14' ' ' ILE . 17.3 Cg_exo -59.81 154.11 52.06 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.551 2.168 . . . . 0.0 111.276 176.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.22 -41.73 73.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.338 -177.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.73 -28.03 44.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.539 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.73 131.89 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.01 131.82 35.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.095 0.474 . . . . 0.0 110.776 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.611 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -79.69 92.29 5.37 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.986 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -154.74 -168.4 2.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.314 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.37 -30.8 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.26 88.92 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.003 0.43 . . . . 0.0 110.857 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.656 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.2 tt -64.25 -41.57 96.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.404 0.621 . . . . 0.0 109.569 175.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.597 ' HE2' HD11 ' A' ' 29' ' ' LEU . 82.6 tttt -60.08 -52.18 66.45 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.241 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 33.2 m -66.74 -35.78 75.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -173.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -68.78 -35.88 77.6 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.412 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 27.3 mt -76.26 -30.55 57.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.003 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.597 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.8 mt -63.61 -20.26 65.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.54 178.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 26' ' ' VAL . 8.9 mm-40 -82.69 10.96 6.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 0.0 111.374 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.429 ' HB ' ' CG2' ' A' ' 34' ' ' VAL . 3.2 m -96.7 147.75 23.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.932 0.396 . . . . 0.0 110.59 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -76.89 119.84 21.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.312 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.0 -10.07 40.18 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.444 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.429 ' CG2' ' HB ' ' A' ' 31' ' ' THR . 97.2 t -71.74 125.85 31.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.384 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HE2' ' HG2' ' A' ' 4' ' ' PRO . 32.3 mmmt -97.79 -32.32 11.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.239 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' ' 38' ' ' LEU . 31.5 tt0 -170.25 141.02 1.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.455 -177.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.544 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 97.3 t -117.76 128.25 74.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.965 0.412 . . . . 0.0 110.402 178.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 8.9 mp -110.75 140.5 45.1 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.75 128.83 58.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.15 86.76 2.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.818 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.611 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 1.1 mm-40 -63.43 -23.5 67.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 110.595 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 42' ' ' GLU . 1.8 mp0 -59.61 -33.67 71.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.481 176.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -108.73 -7.27 15.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.6 t60 54.4 40.25 31.62 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.625 -171.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.433 ' HA ' HG13 ' A' ' 14' ' ' ILE . 67.7 m -140.67 162.04 36.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.869 -177.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -110.81 147.94 33.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.404 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.552 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 40.5 m-85 -112.76 103.73 11.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.285 0.564 . . . . 0.0 109.621 170.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.405 HG22 HG13 ' A' ' 37' ' ' VAL . 57.8 t -100.01 110.76 27.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.336 -176.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -80.36 120.95 25.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.297 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.731 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 15.8 pt -105.07 149.34 8.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.44 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.468 ' HB3' HG12 ' A' ' 54' ' ' VAL . 22.5 t70 -88.64 107.53 18.97 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 169.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 m -64.9 -11.21 35.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.227 -174.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -83.87 -31.23 25.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.549 0.214 . . . . 0.0 111.198 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 51' ' ' ASP . 10.6 p -105.13 -32.02 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -126.88 176.91 6.94 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.639 -173.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -129.77 141.8 50.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.532 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.607 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 43.2 ttp180 -47.09 -54.04 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -175.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.68 -42.92 81.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -173.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.03 -45.91 83.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.329 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.583 ' O ' HD12 ' A' ' 64' ' ' ILE . 7.8 p -70.22 -40.16 77.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 5.6 tm-20 -53.73 -45.18 70.42 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.235 0.614 . . . . 0.0 109.579 174.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 8.4 tt0 -54.58 -49.09 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.291 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.38 90.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.933 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -61.6 -50.04 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.66 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -63.46 -35.88 81.91 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.236 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 56.3 mt-30 -63.37 -27.5 69.35 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.066 0.46 . . . . 0.0 111.263 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.11 -21.81 62.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.724 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -94.78 -34.47 12.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.199 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.364 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 50.6 tpp . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.803 0.335 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -152.76 41.75 0.69 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? 62.05 58.79 1.79 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 122.932 0.493 . . . . 0.0 110.788 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.69 123.62 77.79 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.435 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' O ' HG22 ' A' ' 7' ' ' VAL . 60.3 Cg_endo -77.34 156.88 33.09 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.518 2.145 . . . . 0.0 111.724 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.07 35.87 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.044 2.496 . . . . 0.0 112.804 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -128.81 -0.83 5.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.6 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 18.5 m -79.32 131.25 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 121.271 0.557 . . . . 0.0 110.678 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 t -118.34 122.22 42.33 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -84.23 113.16 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.896 0.379 . . . . 0.0 110.335 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.4 mt -99.6 124.06 44.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.425 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 35.4 ttm180 -84.85 102.66 13.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 175.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mm -91.06 126.22 43.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.368 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -76.42 111.86 12.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.054 0.454 . . . . 0.0 109.881 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.522 HG23 ' HD2' ' A' ' 15' ' ' PRO . 80.0 mt -78.22 142.5 63.59 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.519 -176.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' HG23 ' A' ' 14' ' ' ILE . 19.4 Cg_exo -57.51 144.82 91.18 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.569 2.179 . . . . 0.0 110.659 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.38 -24.0 65.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.269 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.32 -39.88 17.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.563 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.29 132.44 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.275 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.85 134.41 35.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.159 0.504 . . . . 0.0 111.716 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -76.02 95.5 3.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.632 174.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -159.67 -169.86 2.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.55 -28.77 69.57 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -175.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.9 84.8 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.473 0.654 . . . . 0.0 110.094 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 1.3 tp -63.06 -44.58 95.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.344 174.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HE2' HD11 ' A' ' 29' ' ' LEU . 82.1 tttt -58.14 -52.94 63.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.525 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.3 m -66.0 -32.93 60.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -173.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -72.57 -37.02 68.32 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.378 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD22 HG23 ' A' ' 64' ' ' ILE . 39.7 mt -76.1 -29.87 58.07 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.014 178.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD11 ' HE2' ' A' ' 25' ' ' LYS . 15.9 mt -64.25 -11.89 35.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 177.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -97.56 14.74 25.52 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.61 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 19.7 m -89.96 143.83 26.44 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.34 111.81 2.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.411 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.9 14.14 29.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.101 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.61 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 30.1 m -83.09 149.73 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.941 0.401 . . . . 0.0 110.631 177.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.455 ' HE2' ' HB2' ' A' ' 51' ' ' ASP . 70.6 mmtt -117.87 -37.63 3.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.413 173.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -168.37 140.92 2.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.499 -175.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.442 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 99.5 t -118.74 120.53 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.365 0.603 . . . . 0.0 111.325 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.9 mp -100.76 140.88 34.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.837 177.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -100.1 133.65 42.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.965 0.412 . . . . 0.0 110.071 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.03 81.15 1.94 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.983 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.643 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 43.0 mt-10 -61.29 -31.09 70.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.422 -177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.47 -25.31 67.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.378 0.608 . . . . 0.0 110.466 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -110.81 -2.27 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.345 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 t60 50.78 39.86 23.15 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.608 -171.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.408 ' HA ' HG13 ' A' ' 14' ' ' ILE . 67.5 m -138.64 166.88 23.21 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.729 -176.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -114.34 154.94 27.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.393 177.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.508 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 69.8 m-85 -118.23 103.17 9.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.457 0.646 . . . . 0.0 109.784 169.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.8 t -99.84 114.12 37.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.36 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -80.78 119.12 22.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.594 HG21 HG11 ' A' ' 60' ' ' VAL . 33.6 pt -105.21 166.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.47 0.652 . . . . 0.0 111.435 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.455 ' HB2' ' HE2' ' A' ' 35' ' ' LYS . 29.7 t70 -97.36 105.27 17.39 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.657 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -70.7 -0.65 9.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.817 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -87.97 -29.13 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.745 0.307 . . . . 0.0 110.703 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -109.33 -27.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -139.79 176.84 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.881 -175.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.472 ' O ' HG12 ' A' ' 60' ' ' VAL . 61.2 t30 -127.82 142.72 51.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.137 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.607 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 34.7 ttp180 -46.04 -54.94 7.58 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -172.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.77 -36.67 80.9 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.067 -171.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -68.44 -52.18 35.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.577 -179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 50' ' ' ILE . 14.9 p -66.76 -33.7 65.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.512 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 3.8 tm-20 -55.86 -45.43 78.48 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 8.1 tt0 -61.11 -39.12 88.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.669 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.87 90.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.89 0.376 . . . . 0.0 110.652 175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.601 HG23 HD22 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -62.98 -47.55 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.296 177.423 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -62.77 -34.19 76.72 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.341 -179.054 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.89 -33.07 75.0 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.806 0.336 . . . . 0.0 111.584 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.26 -21.24 65.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.264 0.554 . . . . 0.0 110.282 175.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 ' HD3' ' A' ' 15' ' ' PRO . 64.0 mt -93.9 -40.27 10.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.924 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.789 -178.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.749 0.309 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -83.83 -80.05 1.05 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.299 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -87.81 -54.1 4.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.819 0.342 . . . . 0.0 110.808 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -97.95 132.68 24.29 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.671 -174.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.504 ' HD3' ' HE2' ' A' ' 35' ' ' LYS . 96.1 Cg_endo -84.29 167.13 12.26 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.157 2.571 . . . . 0.0 111.22 174.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -67.27 -0.76 5.33 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.022 2.481 . . . . 0.0 112.601 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -99.84 -1.87 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.696 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.55 HG22 ' HB3' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -59.67 142.35 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.147 -175.622 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 m -134.39 124.63 26.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.326 172.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 p -91.92 101.48 14.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.94 0.4 . . . . 0.0 110.803 -177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 12.6 mt -79.99 133.36 36.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.419 -177.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -92.83 106.04 18.07 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.25 132.58 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.108 -178.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 8.0 pt-20 -81.24 108.61 15.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.51 0.672 . . . . 0.0 109.828 175.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 15' ' ' PRO . 75.8 mt -72.56 137.22 80.58 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.162 -176.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 14' ' ' ILE . 35.9 Cg_exo -54.56 142.73 70.73 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.69 2.26 . . . . 0.0 111.341 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.51 -25.0 67.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.72 -29.85 25.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 mp -84.14 133.51 29.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.19 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.68 141.67 32.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . . . -78.56 95.46 5.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.617 176.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.68 -175.81 5.6 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.451 -177.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.16 -28.01 69.46 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.88 83.14 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.497 0.665 . . . . 0.0 110.274 177.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.572 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.1 tt -61.31 -45.19 95.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.366 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HE2' HD11 ' A' ' 29' ' ' LEU . 81.6 tttt -58.49 -52.39 65.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.674 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 m -64.46 -34.75 71.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -73.83 -36.11 64.91 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.509 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.677 ' O ' HG11 ' A' ' 34' ' ' VAL . 34.2 mt -73.67 -29.81 62.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.749 0.309 . . . . 0.0 110.403 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.544 HD11 ' HE2' ' A' ' 25' ' ' LYS . 17.8 mt -64.99 -4.88 5.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.721 0.296 . . . . 0.0 111.488 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -105.94 8.69 32.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.149 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.596 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 16.9 m -87.22 144.43 26.82 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.009 0.433 . . . . 0.0 109.962 -177.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -65.52 110.79 2.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.326 -175.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.52 3.01 35.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.995 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.677 HG11 ' O ' ' A' ' 28' ' ' LEU . 21.9 m -76.6 142.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.289 0.566 . . . . 0.0 110.93 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.504 ' HE2' ' HD3' ' A' ' 4' ' ' PRO . 31.9 mmmt -113.56 -37.14 4.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.484 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -169.21 140.78 2.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.942 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.479 ' HB ' ' HG3' ' A' ' 25' ' ' LYS . 87.7 t -120.59 126.33 75.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.098 0.475 . . . . 0.0 110.925 -177.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.6 mp -109.41 140.76 42.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.15 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' A' ' 25' ' ' LYS . 1.7 mp -106.42 131.1 57.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.957 0.408 . . . . 0.0 110.298 174.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.15 89.88 3.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.551 ' HG2' ' HB3' ' A' ' 20' ' ' ALA . 44.4 mt-10 -60.43 -38.94 85.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.696 -175.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.36 -35.33 80.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.761 0.315 . . . . 0.0 110.948 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -90.0 -7.15 54.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.482 . . . . 0.0 110.382 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 51.75 38.91 24.25 Favored 'General case' 0 C--N 1.335 -0.062 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.678 -172.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.402 ' HA ' HG13 ' A' ' 14' ' ' ILE . 25.3 m -139.76 160.76 39.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.186 -176.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.79 149.01 37.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.356 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 94.6 m-85 -113.49 104.13 11.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.216 0.531 . . . . 0.0 109.589 171.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.409 HG22 HG13 ' A' ' 37' ' ' VAL . 60.6 t -100.96 113.73 37.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.609 -176.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.55 ' HB3' HG22 ' A' ' 7' ' ' VAL . 79.1 mttt -80.91 121.31 25.83 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.209 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 35.2 pt -105.9 165.27 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.49 0.662 . . . . 0.0 111.549 -178.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.542 ' HB3' HG12 ' A' ' 54' ' ' VAL . 18.4 t70 -103.62 100.34 10.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.942 -1.481 . . . . 0.0 108.685 172.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.589 ' HA ' ' O ' ' A' ' 55' ' ' THR . 24.1 p -67.65 -1.45 5.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -173.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' ' OD1' ' A' ' 51' ' ' ASP . 13.1 mmmm -88.96 -37.46 15.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.776 0.322 . . . . 0.0 111.085 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.542 HG12 ' HB3' ' A' ' 51' ' ' ASP . 8.0 p -91.28 -27.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.589 ' O ' ' HA ' ' A' ' 52' ' ' SER . 11.3 t -154.98 157.73 38.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.382 -177.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' O ' HG12 ' A' ' 60' ' ' VAL . 40.4 m-80 -102.3 164.43 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 40.7 ttp180 -46.73 -55.44 7.81 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 123.741 0.651 . . . . 0.0 112.726 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.72 -43.03 94.71 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.351 -165.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -63.41 -52.8 60.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.969 0.414 . . . . 0.0 111.36 -177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.591 ' O ' HD12 ' A' ' 64' ' ' ILE . 14.7 p -70.75 -37.36 68.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 34.5 tt0 -57.76 -43.95 85.79 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.386 0.674 . . . . 0.0 110.198 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.473 ' HG3' ' NH2' ' A' ' 65' ' ' ARG . 29.4 tt0 -58.91 -44.33 91.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.178 176.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.99 96.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -60.33 -48.33 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.624 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.473 ' NH2' ' HG3' ' A' ' 62' ' ' GLN . 5.7 ppt_? -66.09 -35.54 80.78 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 120.273 -0.571 . . . . 0.0 111.143 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 28.5 mt-30 -65.47 -32.41 74.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.737 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.3 -22.71 65.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.217 0.532 . . . . 0.0 110.167 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.7 mt -91.0 -31.04 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.469 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 C--O 1.248 0.989 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.859 -179.408 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 88.27 9.14 70.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.392 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -93.48 141.92 27.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.037 0.446 . . . . 0.0 110.592 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 36.2 mt-10 -74.93 133.85 75.49 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.062 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.639 ' O ' HG22 ' A' ' 7' ' ' VAL . 33.1 Cg_exo -58.65 137.6 81.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.472 2.115 . . . . 0.0 111.656 -176.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 23.0 Cg_exo -63.49 1.55 1.28 Allowed 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.025 2.483 . . . . 0.0 113.791 -174.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -105.89 1.0 26.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.698 0.258 . . . . 0.0 111.698 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 4' ' ' PRO . 33.8 m -83.22 138.91 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 120.981 0.42 . . . . 0.0 110.605 174.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 m -123.94 112.69 17.52 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -82.1 111.77 18.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.092 0.472 . . . . 0.0 109.786 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.5 HD22 ' HG3' ' A' ' 57' ' ' ARG . 10.0 mt -95.41 127.29 41.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.084 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -87.63 102.15 14.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.172 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mm -91.87 128.89 43.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.969 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -77.42 110.47 12.21 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.876 0.37 . . . . 0.0 110.08 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.434 HG13 ' HA ' ' A' ' 45' ' ' SER . 67.2 mt -69.46 139.28 89.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.388 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 14' ' ' ILE . 22.5 Cg_exo -59.87 157.37 33.76 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.768 2.312 . . . . 0.0 111.073 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.52 -34.78 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.904 0.383 . . . . 0.0 110.686 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -77.46 -43.48 32.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.578 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.02 130.79 33.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.459 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.18 143.42 32.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.168 0.509 . . . . 0.0 111.483 -177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.73 91.49 8.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.182 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -153.79 -173.48 4.59 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.239 -175.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 34.2 tt0 -60.9 -32.46 71.92 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -175.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.79 83.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.473 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 10.1 tt -61.52 -43.72 98.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.25 175.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HE2' HD11 ' A' ' 29' ' ' LEU . 78.5 tttt -60.31 -54.16 49.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.649 -178.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 33.7 m -66.53 -32.04 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.086 -172.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.18 -36.14 64.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.303 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 34.4 mt -73.45 -29.12 62.35 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.571 175.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.623 HD11 ' HE2' ' A' ' 25' ' ' LYS . 18.7 mt -64.26 -6.12 6.27 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.498 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 26' ' ' VAL . 42.5 mt-10 -100.28 16.66 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.611 0.243 . . . . 0.0 111.04 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.594 ' HB ' ' CG1' ' A' ' 34' ' ' VAL . 10.1 m -94.63 144.74 25.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -177.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -69.89 110.74 5.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.108 0.48 . . . . 0.0 111.317 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.81 17.82 13.82 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.609 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.594 ' CG1' ' HB ' ' A' ' 31' ' ' THR . 35.3 m -85.44 142.66 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.345 0.593 . . . . 0.0 111.395 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -110.65 -38.39 5.18 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.677 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -170.45 140.58 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.645 -175.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.541 HG22 HG13 ' A' ' 48' ' ' VAL . 95.0 t -118.21 128.22 75.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.998 0.428 . . . . 0.0 110.667 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 10.9 mp -112.68 140.32 47.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.037 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.07 120.14 50.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 171.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.27 87.23 2.83 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -64.25 -39.29 93.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 -171.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.37 -30.2 69.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.312 0.577 . . . . 0.0 110.425 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -88.78 -11.16 45.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.36 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.4 t60 53.83 36.37 23.9 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.131 -173.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.434 ' HA ' HG13 ' A' ' 14' ' ' ILE . 48.7 m -138.22 165.68 26.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.429 -175.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.01 144.82 43.01 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.444 ' HB2' ' HB2' ' A' ' 38' ' ' LEU . 59.8 m-85 -111.53 103.21 11.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.483 0.658 . . . . 0.0 109.501 171.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 37' ' ' VAL . 32.9 t -101.34 110.04 27.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.976 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -83.34 122.12 28.04 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.755 HG21 HG11 ' A' ' 60' ' ' VAL . 44.6 pt -105.1 161.6 4.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.687 0.756 . . . . 0.0 111.57 -178.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.03 100.78 13.18 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.74 -1.573 . . . . 0.0 108.091 173.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 m -70.37 0.78 5.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.358 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -88.66 -38.06 15.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.0 110.645 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.8 p -95.46 -34.74 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.2 t -126.88 -179.9 5.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.1 0.476 . . . . 0.0 111.584 -172.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.499 ' O ' HG12 ' A' ' 60' ' ' VAL . 54.1 t30 -134.6 137.45 43.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.45 -178.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.728 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 4.0 ttp180 -45.83 -54.71 7.63 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.32 -45.28 92.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -172.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -66.14 -49.21 68.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.332 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.755 HG11 HG21 ' A' ' 50' ' ' ILE . 12.3 p -68.17 -36.47 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.193 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.728 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 8.3 tm-20 -54.76 -45.65 74.23 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.399 0.68 . . . . 0.0 109.779 175.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.578 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 28.1 tt0 -55.55 -49.79 71.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.238 176.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.25 78.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 0.0 111.013 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 60' ' ' VAL . 0.9 OUTLIER -64.6 -49.79 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.403 178.504 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 7.2 ppt_? -62.54 -38.33 89.58 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.401 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 62' ' ' GLN . 21.9 mt-30 -60.82 -37.78 83.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.554 178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.49 82.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.833 0.349 . . . . 0.0 110.286 175.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -77.24 -32.98 56.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.878 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 C--O 1.246 0.883 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.016 -178.519 . . . . . . . . 0 0 . 1 stop_ save_