data_2n26_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 2n26 _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 ' 59' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 N--CA 1.456 -0.73 0 CA-C-O 121.74 0.641 . . . . 2.31 111.679 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' A' ' 72' ' ' ILE . 26.5 m-85 -106.88 101.56 10.98 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.135 -1.393 . . . . 2.62 109.214 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.601 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -112.41 153.7 17.28 Favored Glycine 0 N--CA 1.432 -1.627 0 C-N-CA 120.009 -1.091 . . . . 1.42 113.53 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.507 ' SG ' ' HE2' ' A' ' 79' ' ' LYS . 12.3 t -70.1 114.1 7.93 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.19 -1.005 . . . . 1.27 110.648 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.41 -18.87 31.45 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.942 0.877 . . . . 3.94 110.89 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.481 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.0 OUTLIER -87.38 -45.04 10.91 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.787 -1.097 . . . . 2.13 112.658 -171.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.2 p -124.55 -19.99 5.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.364 0.602 . . . . 1.38 110.665 -171.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.98 10.12 Favored Glycine 0 N--CA 1.435 -1.432 0 CA-C-N 115.23 -0.895 . . . . 1.42 114.415 168.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.39 124.57 48.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.137 0.469 . . . . 2.91 110.202 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.601 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.38 140.25 29.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.96 0.409 . . . . 1.55 111.472 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.904 ' HH ' ' HD1' ' A' ' 78' ' ' HIS . 37.8 m-85 -119.16 161.11 20.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.493 -0.776 . . . . 1.33 111.306 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.427 ' C ' HD13 ' A' ' 71' ' ' LEU . 33.0 mmt180 -74.01 -43.03 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.95 -0.568 . . . . 4.43 111.537 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.542 HD22 HD13 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -112.41 163.22 14.69 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.013 -0.275 . . . . 2.44 111.181 -177.15 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.521 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.4 mm -68.05 -43.67 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 1.97 109.681 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -63.45 -35.56 80.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.889 -0.596 . . . . 2.05 110.514 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.544 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 2.2 mt -55.66 -55.69 29.12 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.584 0.707 . . . . 1.62 111.464 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 13.5 tp -69.55 -25.19 63.89 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.61 -1.177 . . . . 1.73 109.845 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -71.09 -36.99 72.43 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.55 -1.204 . . . . 1.34 109.223 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.403 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -79.39 -25.51 42.11 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.432 -0.804 . . . . 1.24 110.32 177.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.904 ' HD1' ' HH ' ' A' ' 69' ' ' TYR . 36.3 t60 -66.78 -42.13 86.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.63 -0.713 . . . . 0.84 109.283 170.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HE2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -71.54 -35.86 70.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.801 -0.814 . . . . 2.49 108.801 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.606 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.9 ttmt -62.36 -40.9 97.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.973 -1.012 . . . . 1.47 110.436 172.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -58.84 -39.02 80.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 4.53 111.991 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -67.61 -30.51 70.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.422 -0.354 . . . . 1.17 111.919 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 p -107.24 11.79 28.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.769 0.319 . . . . 2.01 111.213 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.21 -60.73 4.81 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.084 -0.806 . . . . 0.77 111.084 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.606 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.418 -2.062 0 N-CA-C 107.783 -1.191 . . . . 2.0 107.783 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 . . . . . 0 N--CA 1.447 -0.608 0 CA-C-O 121.656 0.741 . . . . 2.74 111.45 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.607 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 25.9 m-85 -87.17 156.51 19.66 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.792 -1.094 . . . . 1.36 109.605 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 16.1 ptt180 -126.07 153.6 44.24 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 108.611 -0.885 . . . . 3.96 108.611 166.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.588 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 2.1 t -64.77 120.58 12.74 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.123 -1.436 . . . . 0.91 107.123 170.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -70.23 7.45 1.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.099 0.476 . . . . 1.6 111.578 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.2 p30 -120.72 -42.93 2.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.814 -0.63 . . . . 2.13 111.697 -177.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.858 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 14.0 p -120.37 -13.09 8.89 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 119.906 -0.718 . . . . 1.22 110.036 -172.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.97 33.97 31.7 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.769 -1.105 . . . . 1.06 113.203 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.858 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 38.2 mttp -84.71 131.98 34.51 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 110.161 -0.311 . . . . 2.42 110.161 174.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.607 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -91.46 126.62 36.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.291 0.567 . . . . 1.4 110.683 -175.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.468 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 72.0 m-85 -124.42 141.83 51.77 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.294 -0.867 . . . . 0.68 109.906 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.4 p -86.95 -13.14 45.51 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.315 -0.857 . . . . 1.23 109.807 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 101' ' ' GLY . 94.5 m -118.86 127.64 53.69 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 114.609 -1.178 . . . . 1.34 109.009 177.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 24.7 p -72.37 -23.55 61.14 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.267 -0.424 . . . . 0.98 109.982 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.512 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -74.42 -44.0 29.0 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.952 -0.567 . . . . 0.76 112.51 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.3 -38.17 79.55 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.14 -1.059 . . . . 1.88 108.14 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.541 HD23 ' CB ' ' A' ' 88' ' ' TYR . 16.4 tp -64.92 -52.48 56.19 Favored 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 113.705 -1.589 . . . . 1.13 109.209 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.639 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 23.3 ttmm -51.19 -50.13 59.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.433 -1.258 . . . . 2.76 112.404 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 43.4 mtm180 -57.56 -37.37 73.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.478 0.656 . . . . 5.05 109.862 178.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.647 ' O ' HG23 ' A' ' 109' ' ' VAL . 65.3 t60 -76.53 -16.45 59.62 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.945 -1.025 . . . . 1.07 111.319 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.639 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.1 mm-40 -85.88 -27.56 24.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.932 -1.507 . . . . 1.53 106.932 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -81.61 -13.33 58.1 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 113.43 -1.714 . . . . 1.43 110.897 -175.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 106' ' ' HIS . 10.2 m -81.61 -18.52 11.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 C-N-CA 119.758 -0.777 . . . . 1.58 109.223 174.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.454 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 67.6 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.678 -0.692 . . . . 1.32 110.554 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo . . . . . 0 N--CA 1.442 -1.514 0 CA-C-O 121.515 0.548 . . . . 2.31 111.031 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -112.25 94.8 5.11 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.754 -1.112 . . . . 2.62 108.278 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.722 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -103.82 145.31 16.1 Favored Glycine 0 N--CA 1.429 -1.823 0 C-N-CA 119.791 -1.195 . . . . 1.42 113.641 -172.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 6.0 t -61.85 118.37 7.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.47 -1.365 . . . . 1.27 109.84 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -68.71 -14.16 62.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.4 0.619 . . . . 3.94 111.078 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.17 -38.2 10.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.216 -0.902 . . . . 2.13 113.077 -172.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 30.3 p -119.04 -23.17 6.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.672 0.749 . . . . 1.38 109.812 -175.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.23 17.13 47.89 Favored Glycine 0 N--CA 1.432 -1.583 0 CA-C-N 114.724 -1.126 . . . . 1.42 114.15 173.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -88.69 122.5 32.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.069 0.434 . . . . 2.91 110.729 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.722 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.27 138.93 31.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 1.55 111.83 -178.693 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.517 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 43.7 m-85 -123.51 160.81 26.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.763 -0.653 . . . . 1.33 110.889 174.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -79.74 -41.41 26.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.437 -0.347 . . . . 4.43 111.69 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.533 HD23 HD13 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -107.39 156.51 18.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.742 0.306 . . . . 2.44 110.643 -177.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.59 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 22.0 mm -67.21 -42.22 87.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.551 -0.537 . . . . 1.97 109.551 174.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 p -61.28 -37.58 83.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.22 0.533 . . . . 2.05 110.98 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.533 HD13 HD23 ' A' ' 71' ' ' LEU . 2.2 mt -54.1 -57.2 12.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.81 0.814 . . . . 1.62 111.673 173.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.502 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.5 tp -71.96 -22.29 61.47 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 114.491 -1.232 . . . . 1.73 109.653 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.2 t-20 -69.45 -38.37 77.75 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.527 -1.215 . . . . 1.34 109.29 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -79.44 -23.22 43.27 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.494 -0.775 . . . . 1.24 110.078 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -70.41 -40.96 73.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.248 -0.887 . . . . 0.84 109.333 171.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.74 -41.55 71.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.251 -0.886 . . . . 2.49 108.848 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.884 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.9 ttmt -58.86 -36.44 74.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.989 -1.005 . . . . 1.47 110.431 173.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.458 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 17.1 tpt180 -64.17 -36.82 85.3 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.643 -0.423 . . . . 4.53 111.681 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -74.39 -45.11 48.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.397 . . . . 1.17 111.311 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 m -84.44 6.48 23.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.459 -0.337 . . . . 2.01 111.495 -176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.72 -55.51 4.85 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.649 -0.981 . . . . 0.77 110.649 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.884 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.4 pm0 . . . . . 0 N--CA 1.436 -1.158 0 N-CA-C 109.194 -0.669 . . . . 2.0 109.194 171.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.746 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 17.5 mmm180 . . . . . 0 N--CA 1.446 -0.653 0 CA-C-O 121.731 0.777 . . . . 2.74 111.369 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.692 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 23.9 m-85 -95.58 155.44 16.74 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.621 -1.172 . . . . 1.36 109.635 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.694 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 35.2 ptt180 -125.58 152.41 45.13 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.811 -0.811 . . . . 3.96 108.811 167.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.484 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 9.3 t -63.48 130.07 42.87 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.507 -0.923 . . . . 0.91 108.507 175.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -62.79 -9.3 8.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.482 0.488 . . . . 1.6 111.84 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.484 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.5 p30 -120.37 -35.24 3.46 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 112.671 0.619 . . . . 2.13 112.671 -172.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.574 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 9.3 p -128.03 1.2 5.9 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 119.33 -0.948 . . . . 1.22 110.717 -171.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.17 39.21 96.92 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 114.952 -1.022 . . . . 1.06 114.678 170.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.694 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 25.7 mtpp -83.89 132.56 34.78 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 117.16 0.48 . . . . 2.42 109.727 171.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.692 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.3 mm? -90.22 111.3 22.43 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.272 0.558 . . . . 1.4 110.901 -177.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.533 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 82.6 m-85 -109.16 140.42 42.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.644 -0.707 . . . . 0.68 109.263 175.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.448 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 52.3 p -87.94 -6.4 58.05 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.552 0.691 . . . . 1.23 110.17 -178.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.7 m -127.7 128.75 45.96 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.875 -1.057 . . . . 1.34 109.219 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.638 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 26.6 p -69.48 -29.4 67.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.01 -0.541 . . . . 0.98 111.269 -175.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 104' ' ' LYS . . . -77.7 -33.87 41.04 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.296 -0.954 . . . . 0.76 112.357 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.62 -39.3 91.35 Favored 'General case' 0 CA--C 1.492 -1.257 0 N-CA-C 107.767 -1.198 . . . . 1.88 107.767 172.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.59 HD21 ' CB ' ' A' ' 88' ' ' TYR . 13.5 tp -61.06 -58.45 8.37 Favored 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 113.719 -1.582 . . . . 1.13 109.209 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.691 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 3.8 mptp? -40.1 -54.36 2.29 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 124.748 1.28 . . . . 2.76 111.798 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.608 ' O ' HG13 ' A' ' 109' ' ' VAL . 23.2 mmm180 -49.21 -48.8 45.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.218 0.532 . . . . 5.05 110.41 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.603 ' O ' HG23 ' A' ' 109' ' ' VAL . 81.9 t60 -71.25 -17.46 62.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.495 -0.775 . . . . 1.07 112.056 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.691 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 5.6 mt-30 -84.67 -30.4 24.88 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.789 -1.559 . . . . 1.53 106.789 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -73.42 -37.07 66.02 Favored 'General case' 0 C--O 1.201 -1.479 0 CA-C-N 113.085 -1.87 . . . . 1.43 109.406 -176.61 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 105' ' ' ARG . 4.8 m -62.59 -17.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-O 121.151 0.5 . . . . 1.58 110.393 -175.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.477 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 48.0 m-70 . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 112.858 0.688 . . . . 1.32 112.858 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.455 -0.754 0 CA-C-O 122.112 0.797 . . . . 2.31 112.738 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -101.37 97.97 8.39 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 113.651 -1.613 . . . . 2.62 108.854 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.624 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -110.14 148.25 17.41 Favored Glycine 0 N--CA 1.431 -1.652 0 C-N-CA 119.835 -1.174 . . . . 1.42 113.735 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.49 ' SG ' ' HE2' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -70.91 125.35 26.62 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 113.916 -1.142 . . . . 1.27 110.212 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.846 0.831 . . . . 3.94 110.712 -177.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' SG ' ' A' ' 62' ' ' CYS . 0.3 OUTLIER -85.28 -40.4 16.63 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.769 -1.105 . . . . 2.13 112.503 -170.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.71 -0.26 8.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.811 0.815 . . . . 1.38 109.734 -169.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.14 37.4 92.81 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.201 -1.363 . . . . 1.42 114.745 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -109.6 127.85 54.81 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.603 -0.517 . . . . 2.91 109.603 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.624 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -95.92 139.6 31.88 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.394 0.616 . . . . 1.55 111.692 -176.496 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.634 ' CD2' HD21 ' A' ' 74' ' ' LEU . 49.7 m-85 -121.04 148.11 44.59 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.197 -0.911 . . . . 1.33 110.753 174.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -75.26 -33.95 61.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.069 -0.969 . . . . 4.43 111.195 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 4.7 mp -107.77 146.36 32.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 2.44 111.063 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.1 mm -62.5 -45.33 99.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.61 -0.723 . . . . 1.97 110.68 175.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 32.5 t -69.77 -24.32 63.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.957 0.408 . . . . 2.05 110.263 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.1 mt -64.86 -52.91 54.06 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 121.311 0.576 . . . . 1.62 110.903 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 11.4 tp -68.86 -29.4 67.7 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.041 -0.982 . . . . 1.73 109.587 177.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -65.51 -39.97 92.46 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.582 -1.19 . . . . 1.34 109.689 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.65 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 1.4 mm? -77.67 -26.17 50.1 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.302 -0.863 . . . . 1.24 110.415 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -65.25 -41.6 94.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.525 -0.546 . . . . 0.84 109.525 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.751 ' HG2' HD22 ' A' ' 96' ' ' LEU . 2.2 tppp? -69.77 -32.99 71.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.703 -0.851 . . . . 2.49 108.703 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.6 ttmt -69.91 -33.56 72.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.18 -0.918 . . . . 1.47 110.634 175.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 36.3 mmt180 -60.16 -39.29 85.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.717 0.294 . . . . 4.53 111.636 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.09 -39.38 82.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.403 0.52 . . . . 1.17 112.403 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m -108.39 14.74 24.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.691 0.282 . . . . 2.01 111.527 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.15 -59.79 4.52 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.951 -0.86 . . . . 0.77 110.951 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.587 ' HG3' ' NE ' ' A' ' 87' ' ' ARG . 2.6 pm0 . . . . . 0 N--CA 1.434 -1.24 0 N-CA-C 108.011 -1.107 . . . . 2.0 108.011 170.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.587 ' NE ' ' HG3' ' A' ' 85' ' ' GLU . 21.0 mmt180 . . . . . 0 N--CA 1.442 -0.871 0 CA-C-O 121.292 0.568 . . . . 2.74 111.037 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.732 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.9 m-85 -91.29 153.5 19.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.098 -0.955 . . . . 1.36 111.47 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.573 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 47.7 mtt180 -108.12 153.8 22.62 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.899 -0.778 . . . . 3.96 108.899 169.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.504 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 8.2 t -70.18 117.75 12.13 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.115 -1.809 . . . . 0.91 106.115 163.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.04 -5.25 0.61 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.309 0.485 . . . . 1.6 112.309 -174.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.466 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.4 p30 -115.02 -36.08 4.54 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.599 -0.273 . . . . 2.13 111.622 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.805 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 3.8 p -130.95 3.76 4.43 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 119.481 -0.888 . . . . 1.22 111.21 -171.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.06 39.16 97.23 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.37 -0.832 . . . . 1.06 114.293 168.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.805 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 10.5 mtpp -87.27 135.02 33.47 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.79 -0.819 . . . . 2.42 108.79 172.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.751 HD22 ' HG2' ' A' ' 79' ' ' LYS . 3.9 mm? -94.4 105.24 17.21 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.303 0.573 . . . . 1.4 111.504 -172.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.476 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 93.9 m-85 -100.72 142.88 31.57 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.486 -0.779 . . . . 0.68 110.017 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.483 HG21 ' HG2' ' A' ' 85' ' ' GLU . 71.1 p -93.05 7.09 45.59 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 121.947 0.879 . . . . 1.23 110.379 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.5 m -144.24 129.26 18.54 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.386 -1.279 . . . . 1.34 109.215 175.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.0 p -67.09 -26.89 66.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.812 -0.631 . . . . 0.98 110.695 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.636 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -75.47 -44.01 22.83 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.906 -0.588 . . . . 0.76 112.374 175.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -57.03 -38.96 73.91 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.183 -1.043 . . . . 1.88 108.183 173.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 88' ' ' TYR . 16.6 tp -63.63 -56.57 14.79 Favored 'General case' 0 N--CA 1.417 -2.102 0 CA-C-N 113.48 -1.691 . . . . 1.13 109.727 178.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.809 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 40.2 ttpt -47.66 -49.63 26.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.546 -1.206 . . . . 2.76 112.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 49.0 mtt180 -59.69 -35.9 75.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.053 0.454 . . . . 5.05 110.076 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.705 ' O ' HG22 ' A' ' 109' ' ' VAL . 76.3 t60 -76.81 -17.56 58.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.213 -0.903 . . . . 1.07 111.201 176.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.809 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mt-30 -84.06 -27.29 28.4 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.412 -1.699 . . . . 1.53 106.412 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -83.49 -9.44 58.98 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 112.895 -1.957 . . . . 1.43 111.242 -176.164 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.705 HG22 ' O ' ' A' ' 106' ' ' HIS . 11.0 m -83.48 -17.61 10.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 C-N-CA 119.596 -0.841 . . . . 1.58 108.807 173.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.436 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 70.3 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.055 -0.975 . . . . 1.32 110.284 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo . . . . . 0 N--CA 1.452 -0.959 0 CA-C-O 121.694 0.622 . . . . 2.31 110.585 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.486 ' HB3' HD23 ' A' ' 75' ' ' LEU . 44.9 m-85 -96.15 100.21 11.88 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.541 -1.209 . . . . 2.62 109.521 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.678 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -113.5 144.56 18.18 Favored Glycine 0 N--CA 1.436 -1.347 0 C-N-CA 119.895 -1.145 . . . . 1.42 114.147 -171.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.464 ' SG ' ' HG3' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -61.32 130.92 48.5 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.913 -1.143 . . . . 1.27 110.832 178.716 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -75.63 -16.55 60.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.323 0.582 . . . . 3.94 111.075 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.464 ' HG3' ' SG ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -91.64 -37.54 13.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.754 0.65 . . . . 2.13 112.754 -174.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.5 p -126.86 2.08 6.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.592 0.711 . . . . 1.38 109.69 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.26 38.1 92.79 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.308 -1.314 . . . . 1.42 114.592 171.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -110.15 117.01 32.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.14 -0.319 . . . . 2.91 110.14 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.678 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -86.23 141.96 28.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.504 0.668 . . . . 1.55 111.905 -178.035 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.663 ' HH ' ' HD1' ' A' ' 78' ' ' HIS . 47.5 m-85 -120.54 142.7 49.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.969 -1.014 . . . . 1.33 110.054 173.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -69.91 -17.92 63.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.617 -0.72 . . . . 4.43 112.138 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 24.7 mt -127.84 163.44 24.4 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.523 -0.471 . . . . 2.44 111.398 -177.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.519 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.4 mm -74.17 -51.91 22.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.569 -0.742 . . . . 1.97 110.491 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.485 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 17.7 m -63.5 -26.5 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.415 0.626 . . . . 2.05 110.349 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 4.5 mt -58.48 -58.7 7.36 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.148 -0.933 . . . . 1.62 111.781 172.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 6.1 tp -71.85 -22.27 61.55 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 114.8 -1.091 . . . . 1.73 109.486 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -68.08 -39.76 82.82 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.455 -1.248 . . . . 1.34 108.752 177.747 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.49 HD12 ' HD2' ' A' ' 80' ' ' LYS . 2.3 mm? -80.5 -22.32 41.07 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.205 -0.907 . . . . 1.24 110.374 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.663 ' HD1' ' HH ' ' A' ' 69' ' ' TYR . 59.7 t60 -69.12 -40.9 78.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.257 -0.646 . . . . 0.84 109.257 170.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.681 ' HG2' HD23 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -72.25 -38.29 68.92 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.384 -0.969 . . . . 2.49 108.384 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.818 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 34.4 ttmt -62.98 -29.84 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.767 -1.106 . . . . 1.47 110.19 173.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -66.1 -43.41 87.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.458 -0.337 . . . . 4.53 110.964 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -74.03 -50.32 20.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.701 0.286 . . . . 1.17 111.469 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 m -86.66 11.09 13.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.249 0.463 . . . . 2.01 112.249 -172.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.73 -55.16 5.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.648 -0.787 . . . . 0.77 111.196 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.818 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.7 pm0 . . . . . 0 N--CA 1.431 -1.375 0 N-CA-C 108.828 -0.804 . . . . 2.0 108.828 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.732 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 16.0 mmm180 . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.399 0.619 . . . . 2.74 110.895 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 25.4 m-85 -94.69 152.89 18.11 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.421 -0.808 . . . . 1.36 110.318 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.584 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 11.2 ptt180 -124.26 153.9 40.99 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.466 -0.938 . . . . 3.96 108.466 167.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.503 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 25.3 t -65.56 118.11 9.01 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.443 -1.253 . . . . 0.91 108.605 172.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.57 -0.95 0.31 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.419 0.449 . . . . 1.6 111.793 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.503 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -113.8 -42.2 3.46 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 120.914 -0.314 . . . . 2.13 111.397 -175.61 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.756 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 8.9 p -130.82 -2.54 4.14 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 119.353 -0.939 . . . . 1.22 111.218 -171.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.86 39.31 55.16 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.346 -0.843 . . . . 1.06 114.228 168.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.756 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 57.6 mttt -92.07 131.54 37.26 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.355 -0.609 . . . . 2.42 109.355 174.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.681 HD23 ' HG2' ' A' ' 79' ' ' LYS . 3.9 mm? -90.85 121.17 32.48 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.183 0.516 . . . . 1.4 110.987 -174.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 86.3 m-85 -116.31 136.14 53.26 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.495 -0.775 . . . . 0.68 109.896 177.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.569 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 64.1 p -85.33 -3.37 58.81 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.223 -0.899 . . . . 1.23 110.04 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 101' ' ' GLY . 24.9 m -133.34 128.54 35.89 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 114.514 -1.221 . . . . 1.34 109.042 175.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 26.1 p -67.52 -23.24 65.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.274 -0.421 . . . . 0.98 110.9 -177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' H ' HG23 ' A' ' 99' ' ' THR . . . -73.08 -46.07 29.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.925 -0.655 . . . . 0.76 112.28 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -56.03 -38.24 70.29 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.541 -0.911 . . . . 1.88 108.541 172.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.56 HD22 ' CB ' ' A' ' 88' ' ' TYR . 19.5 tp -66.14 -52.58 47.06 Favored 'General case' 0 N--CA 1.419 -2.019 0 CA-C-N 113.803 -1.544 . . . . 1.13 109.46 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.651 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 39.2 ttmt -51.88 -49.33 63.2 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.302 -1.317 . . . . 2.76 112.431 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.564 ' O ' HG12 ' A' ' 109' ' ' VAL . 35.8 ptt180 -66.98 -26.95 67.06 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.724 -0.79 . . . . 5.05 110.004 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.682 ' O ' HG22 ' A' ' 109' ' ' VAL . 72.5 t60 -78.98 -16.8 56.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 1.07 110.481 174.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.651 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -82.92 -27.14 30.83 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.938 -1.875 . . . . 1.53 105.938 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -83.06 -17.56 42.79 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 112.552 -2.113 . . . . 1.43 111.212 -176.315 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -76.03 -19.49 15.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 C-N-CA 119.7 -0.8 . . . . 1.58 109.22 175.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.477 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 89.7 m-70 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.447 -0.797 . . . . 1.32 110.725 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 N--CA 1.449 -1.126 0 N-CA-C 109.956 -0.824 . . . . 2.31 109.956 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.45 ' HB3' HD21 ' A' ' 75' ' ' LEU . 41.5 m-85 -88.88 93.74 9.7 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.307 -0.861 . . . . 2.62 109.649 -175.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.629 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -108.21 145.24 16.29 Favored Glycine 0 N--CA 1.433 -1.552 0 C-N-CA 120.135 -1.031 . . . . 1.42 113.724 -172.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 22.0 t -60.74 122.34 14.54 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.808 -1.196 . . . . 1.27 110.338 177.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.12 -18.3 64.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.397 0.618 . . . . 3.94 110.397 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.554 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -82.15 -47.38 12.59 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.133 -0.939 . . . . 2.13 112.024 -173.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.2 p -121.74 -21.88 5.99 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.375 0.607 . . . . 1.38 110.27 -169.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.27 39.38 5.7 Favored Glycine 0 N--CA 1.437 -1.26 0 CA-C-N 115.189 -0.914 . . . . 1.42 113.781 168.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.411 ' O ' ' HA2' ' A' ' 61' ' ' GLY . 64.6 mttm -110.43 120.27 41.87 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.814 -0.439 . . . . 2.91 109.814 176.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.629 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -87.86 135.15 33.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.211 0.529 . . . . 1.55 111.004 -177.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.633 ' CD2' HD23 ' A' ' 74' ' ' LEU . 40.4 m-85 -112.99 162.67 15.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.524 -0.762 . . . . 1.33 111.517 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -79.43 -41.7 27.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.436 -0.802 . . . . 4.43 110.592 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.838 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 6.0 mp -105.22 148.53 26.85 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.21 -0.45 . . . . 2.44 111.111 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.93 -45.54 98.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.563 -0.744 . . . . 1.97 109.274 171.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -38.61 87.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 2.05 110.39 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.838 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -57.67 -49.88 75.03 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.455 0.645 . . . . 1.62 111.392 177.435 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 60' ' ' TYR . 5.1 tp -70.13 -30.55 67.76 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 114.935 -1.029 . . . . 1.73 110.15 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -71.23 -34.22 70.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.221 -0.9 . . . . 1.34 109.557 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.568 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -80.66 -22.5 40.4 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.299 -0.864 . . . . 1.24 110.143 178.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -67.15 -48.37 68.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.073 -0.967 . . . . 0.84 109.191 169.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -77.2 -20.24 55.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.464 -0.789 . . . . 2.49 109.804 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.952 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 18.4 ttmt -70.92 -43.61 67.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.272 -0.876 . . . . 1.47 110.102 169.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.458 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 23.7 tpt180 -65.56 -30.07 70.76 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.315 -0.402 . . . . 4.53 111.997 -173.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -60.27 -24.01 64.59 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.787 0.327 . . . . 1.17 111.288 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 m -118.23 20.8 13.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.211 0.529 . . . . 2.01 110.401 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.43 -59.34 4.38 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.294 -0.723 . . . . 0.77 111.294 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.952 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 6.8 pt-20 . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 108.663 -0.866 . . . . 2.0 108.663 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.544 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 10.2 mmm180 . . . . . 0 N--CA 1.445 -0.708 0 CA-C-O 121.615 0.721 . . . . 2.74 111.565 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.677 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 27.3 m-85 -90.86 152.24 20.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.883 -1.053 . . . . 1.36 111.047 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.695 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 29.8 mtt180 -108.83 154.5 22.01 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.351 -0.981 . . . . 3.96 108.351 168.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.599 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 5.5 t -71.0 122.92 20.89 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 106.643 -1.614 . . . . 0.91 106.643 168.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -61.61 -3.03 0.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.996 0.369 . . . . 1.6 111.996 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.497 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.3 p30 -118.75 -36.97 3.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.402 -0.363 . . . . 2.13 111.966 -174.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.647 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 9.3 p -130.43 3.44 4.65 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 119.738 -0.785 . . . . 1.22 110.812 -171.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.65 36.69 90.53 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.221 -0.9 . . . . 1.06 114.604 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.647 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 15.6 mtpp -79.78 140.25 36.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.304 -0.628 . . . . 2.42 109.304 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.695 ' CD1' ' HG3' ' A' ' 89' ' ' ARG . 3.4 mm? -96.38 114.24 25.9 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.277 0.561 . . . . 1.4 110.548 -176.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 83.5 m-85 -112.89 135.43 53.67 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.309 -0.859 . . . . 0.68 109.893 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.544 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 44.6 p -79.45 -13.52 59.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.95 -1.023 . . . . 1.23 109.621 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.9 m -123.87 127.92 48.73 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 114.379 -1.282 . . . . 1.34 109.289 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 17.8 p -68.35 -25.71 65.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 0.98 111.14 -178.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.04 -41.82 26.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.994 -0.622 . . . . 0.76 112.571 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -59.04 -36.43 74.98 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 108.248 -1.019 . . . . 1.88 108.248 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.556 HD22 ' CB ' ' A' ' 88' ' ' TYR . 15.4 tp -65.77 -57.58 7.66 Favored 'General case' 0 N--CA 1.415 -2.204 0 CA-C-N 113.933 -1.485 . . . . 1.13 109.204 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.773 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 41.6 ttmt -47.86 -50.54 26.01 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.448 -1.251 . . . . 2.76 112.499 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.516 ' HA ' HD21 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -62.3 -29.6 70.55 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.441 -0.503 . . . . 5.05 110.341 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.719 ' O ' HG23 ' A' ' 109' ' ' VAL . 78.8 t60 -79.22 -19.1 51.59 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.111 -0.495 . . . . 1.07 110.759 176.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.773 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 8.0 mt-30 -81.38 -25.97 35.85 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 106.527 -1.657 . . . . 1.53 106.527 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -82.67 -15.68 51.1 Favored 'General case' 0 C--O 1.206 -1.205 0 CA-C-N 112.872 -1.967 . . . . 1.43 111.533 -176.236 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 106' ' ' HIS . 5.9 m -78.67 -16.65 13.59 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.76 -0.83 . . . . 1.58 108.76 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.501 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 71.7 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.226 -0.897 . . . . 1.32 110.696 175.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 CA-C-O 121.874 0.697 . . . . 2.31 111.626 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CE2' HG12 ' A' ' 72' ' ' ILE . 52.7 m-85 -124.11 105.51 9.6 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.255 -1.339 . . . . 2.62 109.728 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.76 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -106.93 162.14 13.62 Favored Glycine 0 N--CA 1.435 -1.41 0 C-N-CA 119.745 -1.216 . . . . 1.42 113.86 -171.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.579 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 45.2 t -80.13 141.65 35.55 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 113.989 -1.105 . . . . 1.27 110.347 177.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -85.19 -26.77 26.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.416 0.627 . . . . 3.94 110.088 177.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -88.17 -35.0 17.63 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.521 -0.763 . . . . 2.13 112.156 -167.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.458 ' SG ' ' NE2' ' A' ' 78' ' ' HIS . 18.1 p -114.73 -27.06 7.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.897 0.856 . . . . 1.38 108.925 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.579 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 86.31 35.8 10.43 Favored Glycine 0 N--CA 1.434 -1.47 0 CA-C-N 114.173 -1.376 . . . . 1.42 114.059 169.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -110.82 136.91 49.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.99 0.395 . . . . 2.91 110.075 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.76 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -90.37 137.4 32.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.063 0.458 . . . . 1.55 111.43 -177.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CD2' HD21 ' A' ' 74' ' ' LEU . 19.2 m-85 -109.62 168.82 9.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.386 0.612 . . . . 1.33 111.759 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -83.2 -40.49 19.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.632 -1.167 . . . . 4.43 111.443 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.8 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 8.0 mp -115.81 159.39 21.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 2.44 111.697 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 10.0 mm -63.84 -50.58 76.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.514 -0.766 . . . . 1.97 109.965 172.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.0 t -66.77 -27.02 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 2.05 110.302 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.8 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.93 -53.09 59.45 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.357 0.598 . . . . 1.62 110.649 174.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HG ' ' HE3' ' A' ' 79' ' ' LYS . 13.2 tp -70.0 -27.18 64.49 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.088 -0.96 . . . . 1.73 109.865 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -68.44 -38.53 81.23 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.776 -1.102 . . . . 1.34 109.709 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.415 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.9 mm? -80.23 -20.41 44.65 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.513 0.673 . . . . 1.24 109.897 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.458 ' NE2' ' SG ' ' A' ' 65' ' ' CYS . 49.1 t60 -68.74 -45.21 72.06 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.085 -0.962 . . . . 0.84 109.723 171.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.669 ' HD3' HD22 ' A' ' 96' ' ' LEU . 16.5 ptpt -80.73 -20.44 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.062 -0.517 . . . . 2.49 109.833 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.596 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 32.8 ttmt -71.67 -38.67 70.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.633 -0.712 . . . . 1.47 109.367 168.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -59.25 -43.07 92.46 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.09 -0.505 . . . . 4.53 112.055 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -67.51 -29.12 68.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.736 0.303 . . . . 1.17 111.505 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 m -105.48 9.25 33.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.752 0.31 . . . . 2.01 111.42 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.62 -59.12 4.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.582 -0.818 . . . . 0.77 111.291 -175.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.875 ' HG3' ' HE ' ' A' ' 87' ' ' ARG . 1.1 pm0 . . . . . 0 N--CA 1.438 -1.062 0 N-CA-C 108.857 -0.794 . . . . 2.0 108.857 172.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.875 ' HE ' ' HG3' ' A' ' 85' ' ' GLU . 20.5 mmt180 . . . . . 0 N--CA 1.446 -0.63 0 CA-C-O 121.468 0.651 . . . . 2.74 111.495 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.606 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 9.9 m-85 -93.52 150.78 20.17 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.741 -1.118 . . . . 1.36 109.816 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 13.2 ptt-85 -122.96 153.82 39.22 Favored 'General case' 0 CA--C 1.494 -1.202 0 CA-C-O 121.766 0.793 . . . . 3.96 109.011 167.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.612 ' C ' ' H ' ' A' ' 92' ' ' ASP . 12.6 t -68.28 109.43 3.6 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.911 -1.514 . . . . 0.91 106.911 166.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.6 13.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.56 0.695 . . . . 1.6 110.484 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -106.9 -47.77 3.64 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.807 -1.088 . . . . 2.13 109.743 178.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.743 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 13.7 p -130.54 -5.85 4.18 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.989 -0.684 . . . . 1.22 111.034 -173.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.76 40.39 26.5 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.328 -0.851 . . . . 1.06 113.964 169.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.743 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 60.3 mttt -93.12 129.32 39.15 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.192 -0.67 . . . . 2.42 109.192 173.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.669 HD22 ' HD3' ' A' ' 79' ' ' LYS . 4.1 mm? -94.1 114.95 27.2 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.087 0.47 . . . . 1.4 111.025 -173.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -108.14 141.24 40.17 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.468 -0.787 . . . . 0.68 109.897 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.457 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 65.8 p -94.08 13.23 23.73 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 122.134 0.968 . . . . 1.23 109.837 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.7 m -149.35 128.62 12.88 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 113.979 -1.464 . . . . 1.34 108.678 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.3 p -66.55 -28.13 68.29 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.211 -0.449 . . . . 0.98 110.769 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.51 -42.71 72.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.877 -0.678 . . . . 0.76 112.434 174.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 4.6 m-20 -59.58 -38.23 80.63 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.463 -0.94 . . . . 1.88 108.463 173.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 88' ' ' TYR . 30.8 tp -65.39 -54.78 23.71 Favored 'General case' 0 N--CA 1.418 -2.066 0 CA-C-N 113.894 -1.503 . . . . 1.13 109.345 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.584 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 83.7 mttt -48.42 -51.33 27.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.51 -1.223 . . . . 2.76 112.589 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.529 ' O ' HG13 ' A' ' 109' ' ' VAL . 8.0 ppt_? -62.37 -29.4 70.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.107 -0.637 . . . . 5.05 110.203 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.665 ' O ' HG23 ' A' ' 109' ' ' VAL . 78.0 t60 -80.68 -17.82 49.92 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.253 0.549 . . . . 1.07 111.112 175.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.584 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -82.57 -24.54 33.92 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.802 -1.555 . . . . 1.53 106.802 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -83.71 -27.46 28.97 Favored 'General case' 0 C--O 1.202 -1.402 0 CA-C-N 113.215 -1.812 . . . . 1.43 110.665 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 106' ' ' HIS . 5.5 m -66.29 -21.24 28.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 C-N-CA 119.729 -0.788 . . . . 1.58 109.34 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.462 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 89.4 m-70 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.548 -0.751 . . . . 1.32 111.875 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 CA-C-O 121.724 0.635 . . . . 2.31 111.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -129.48 97.12 4.46 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 114.383 -1.281 . . . . 2.62 108.941 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 1.02 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -101.98 150.98 18.38 Favored Glycine 0 N--CA 1.426 -1.984 0 C-N-CA 120.015 -1.088 . . . . 1.42 113.285 -171.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.467 ' C ' ' H ' ' A' ' 64' ' ' GLU . 1.4 t -76.88 98.84 5.0 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.409 -0.96 . . . . 1.27 108.409 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.18 -5.83 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.126 0.965 . . . . 3.94 109.839 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' A' ' 62' ' ' CYS . 1.5 tt0 -82.77 -38.87 22.58 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.007 -1.451 . . . . 2.13 111.725 -177.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 p -129.04 -14.17 4.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.153 0.501 . . . . 1.38 111.086 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.28 26.59 17.97 Favored Glycine 0 N--CA 1.434 -1.458 0 CA-C-N 115.573 -0.739 . . . . 1.42 114.198 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -111.97 119.34 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.545 -0.385 . . . . 2.91 110.852 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 1.02 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -87.48 138.44 31.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 1.55 110.88 178.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.558 ' CD2' HD23 ' A' ' 74' ' ' LEU . 34.0 m-85 -113.3 174.71 5.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.0 -0.545 . . . . 1.33 111.442 178.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.43 ' C ' HD12 ' A' ' 71' ' ' LEU . 22.3 mmm180 -96.08 -37.63 10.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.733 -0.667 . . . . 4.43 111.088 -172.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.532 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -112.08 161.3 16.64 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.255 -0.278 . . . . 2.44 110.389 178.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.3 mm -66.02 -47.9 83.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.851 -0.426 . . . . 1.97 109.851 174.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 t -61.38 -35.63 78.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 2.05 110.417 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 69' ' ' TYR . 1.2 mt -54.32 -55.5 27.76 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.578 0.704 . . . . 1.62 111.593 174.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 17.9 tp -68.7 -30.61 69.3 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.549 -1.205 . . . . 1.73 109.656 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -70.15 -43.45 70.86 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.141 -1.39 . . . . 1.34 109.343 -176.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.786 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.4 mm? -80.99 -20.94 40.77 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 115.18 -0.918 . . . . 1.24 110.339 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.534 ' HD1' ' HH ' ' A' ' 69' ' ' TYR . 23.4 t60 -64.92 -43.19 93.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.924 -0.769 . . . . 0.84 108.924 169.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.89 ' HD3' HD22 ' A' ' 96' ' ' LEU . 14.0 ttmm -66.93 -31.55 72.21 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.369 -0.832 . . . . 2.49 109.26 178.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.989 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 13.5 mptt -62.38 -47.07 85.76 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.579 -0.737 . . . . 1.47 110.78 169.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.786 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 30.0 mmm180 -54.79 -26.95 38.02 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.12 0.415 . . . . 4.53 112.12 -176.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -64.9 -45.21 86.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.18 -0.464 . . . . 1.17 112.072 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 p -130.14 30.5 4.78 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.199 0.444 . . . . 2.01 112.199 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.1 -57.56 4.61 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.193 -0.763 . . . . 0.77 111.193 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.989 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.2 pm0 . . . . . 0 N--CA 1.437 -1.112 0 N-CA-C 109.248 -0.649 . . . . 2.0 109.248 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.646 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 23.1 mmm180 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.308 0.575 . . . . 2.74 111.696 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 10.0 m-85 -88.16 154.61 20.31 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.101 -0.954 . . . . 1.36 109.984 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.566 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 19.5 ptt180 -124.25 150.33 45.45 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 119.884 -0.726 . . . . 3.96 110.073 170.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.495 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 19.3 t -60.58 123.39 17.24 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.182 -1.372 . . . . 0.91 108.124 171.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.55 6.17 2.0 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.025 0.44 . . . . 1.6 111.129 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.495 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -116.08 -43.34 2.98 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.092 -0.504 . . . . 2.13 111.173 -178.189 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.5 p -130.19 1.09 4.67 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 119.611 -0.836 . . . . 1.22 110.468 -171.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.6 36.06 75.63 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.169 -0.923 . . . . 1.06 113.403 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 9.4 mmtp -81.49 125.5 30.54 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 123.017 0.527 . . . . 2.42 110.262 174.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.89 HD22 ' HD3' ' A' ' 79' ' ' LYS . 3.7 mm? -89.31 126.53 35.56 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.279 0.561 . . . . 1.4 111.21 -175.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.515 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 90.2 m-85 -124.22 141.67 51.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.399 -0.819 . . . . 0.68 110.239 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.56 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 81.4 p -88.68 4.06 48.53 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.001 0.905 . . . . 1.23 110.023 -178.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.413 ' HB ' ' OD1' ' A' ' 102' ' ' ASN . 50.9 m -143.83 128.85 18.57 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.31 -1.314 . . . . 1.34 109.158 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.545 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 9.1 p -67.27 -27.48 67.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 0.98 111.133 -176.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.542 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -73.99 -41.85 39.14 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.783 -0.722 . . . . 0.76 112.164 175.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.413 ' OD1' ' HB ' ' A' ' 99' ' ' THR . 11.4 m120 -59.2 -38.13 79.14 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 108.308 -0.997 . . . . 1.88 108.308 173.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.565 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 14.2 tp -65.02 -51.74 59.92 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 113.475 -1.693 . . . . 1.13 109.4 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.436 ' O ' HD13 ' A' ' 108' ' ' LEU . 21.1 ttmm -50.2 -48.43 54.25 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.358 -1.292 . . . . 2.76 111.533 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.567 ' O ' HG11 ' A' ' 109' ' ' VAL . 10.4 mmm180 -56.58 -44.28 80.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.411 . . . . 5.05 109.919 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.645 ' O ' HG23 ' A' ' 109' ' ' VAL . 70.6 t60 -69.16 -18.76 63.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.812 -0.631 . . . . 1.07 111.29 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 12.5 mm-40 -81.76 -29.0 33.01 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 107.452 -1.314 . . . . 1.53 107.452 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -82.36 -18.45 42.06 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 113.488 -1.687 . . . . 1.43 110.85 -175.413 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 106' ' ' HIS . 4.9 m -77.29 -19.56 14.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 C-N-CA 119.94 -0.704 . . . . 1.58 109.254 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.564 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 84.4 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.621 -0.718 . . . . 1.32 111.234 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo . . . . . 0 N--CA 1.455 -0.785 0 CA-C-O 121.806 0.669 . . . . 2.31 111.513 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.468 ' HB3' HD21 ' A' ' 75' ' ' LEU . 43.5 m-85 -120.61 99.65 6.67 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 114.316 -1.311 . . . . 2.62 108.588 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.7 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -114.37 144.21 18.24 Favored Glycine 0 N--CA 1.432 -1.567 0 C-N-CA 119.505 -1.331 . . . . 1.42 114.283 -171.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 3.2 t -66.93 106.88 2.04 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.585 -1.307 . . . . 1.27 109.939 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.64 -6.94 8.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.49 0.662 . . . . 3.94 110.76 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.8 tt0 -84.62 -42.9 14.93 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.008 -0.996 . . . . 2.13 111.487 -176.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.423 ' SG ' ' NE2' ' A' ' 78' ' ' HIS . 3.4 p -127.9 -18.39 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.083 0.468 . . . . 1.38 110.732 -172.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.05 28.51 13.39 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 115.803 -0.635 . . . . 1.42 114.334 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -104.92 124.59 49.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.08 0.44 . . . . 2.91 109.821 173.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.7 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 1.0 OUTLIER -97.51 143.03 28.63 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.538 0.685 . . . . 1.55 110.962 178.564 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.582 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 58.0 m-85 -123.0 147.35 46.74 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.723 -1.126 . . . . 1.33 110.332 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.529 ' HG3' HD22 ' A' ' 71' ' ' LEU . 24.2 ptt180 -76.21 -32.12 58.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.923 -0.581 . . . . 4.43 111.721 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -104.17 153.33 21.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 120.667 -0.413 . . . . 2.44 110.805 177.402 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 14.5 mm -64.89 -49.22 80.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.227 -0.442 . . . . 1.97 110.148 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 m -61.2 -27.66 68.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 2.05 111.132 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 2.2 mt -60.81 -56.59 19.34 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.686 0.755 . . . . 1.62 111.521 174.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.468 HD21 ' HB3' ' A' ' 60' ' ' TYR . 9.0 tp -70.94 -24.73 62.49 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 114.459 -1.246 . . . . 1.73 109.517 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -69.08 -40.0 78.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.304 -1.316 . . . . 1.34 109.264 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -80.91 -19.89 43.34 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.641 -0.708 . . . . 1.24 110.654 178.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.423 ' NE2' ' SG ' ' A' ' 65' ' ' CYS . 45.6 t60 -66.94 -46.48 74.61 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.23 -0.895 . . . . 0.84 108.891 171.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 79' ' ' LYS . 15.3 ttmm -70.74 -38.65 73.54 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.409 -0.814 . . . . 2.49 109.608 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.796 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 27.0 ttmt -59.31 -37.99 79.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.633 -0.712 . . . . 1.47 110.351 173.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -66.21 -29.58 69.87 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.088 0.403 . . . . 4.53 112.088 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -67.53 -50.53 58.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.147 -0.346 . . . . 1.17 111.241 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m -92.75 15.17 15.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.019 0.438 . . . . 2.01 111.347 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.87 -47.48 3.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.849 -0.691 . . . . 0.77 112.017 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.796 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.1 pt-20 . . . . . 0 N--CA 1.436 -1.147 0 N-CA-C 108.905 -0.776 . . . . 2.0 108.905 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 28.7 mmt180 . . . . . 0 N--CA 1.444 -0.75 0 CA-C-O 121.477 0.656 . . . . 2.74 111.507 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 33.0 m-85 -86.22 149.96 24.72 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.778 -1.101 . . . . 1.36 109.664 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.629 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 39.5 ptt180 -125.77 148.47 49.09 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 120.113 -0.635 . . . . 3.96 109.643 169.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.607 ' HA ' ' OE1' ' A' ' 107' ' ' GLN . 46.9 t -55.61 120.8 7.81 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.588 -1.187 . . . . 0.91 108.392 173.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.51 6.34 0.64 Allowed 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.616 0.572 . . . . 1.6 111.32 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.474 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -120.97 -40.81 2.59 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.282 -0.417 . . . . 2.13 111.979 -178.63 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.3 p -131.35 -1.94 3.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 119.463 -0.895 . . . . 1.22 111.464 -171.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.39 38.25 39.2 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.746 -0.661 . . . . 1.06 113.755 171.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.629 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 5.5 mmtm -82.7 125.94 31.8 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 123.362 0.665 . . . . 2.42 110.293 172.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.614 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.7 mm? -91.71 125.82 36.57 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.948 0.404 . . . . 1.4 111.127 -175.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' A' ' 95' ' ' LYS . 75.3 m-85 -126.03 146.99 49.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.433 -0.803 . . . . 0.68 110.278 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -96.06 10.19 38.34 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.705 0.764 . . . . 1.23 110.118 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.4 m -146.68 128.85 15.66 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.744 -1.116 . . . . 1.34 108.718 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.454 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 19.6 p -68.62 -28.61 67.06 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.334 0.396 . . . . 0.98 111.304 -175.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.11 -35.66 37.78 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.464 -0.874 . . . . 0.76 112.683 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.9 -37.26 85.63 Favored 'General case' 0 CA--C 1.49 -1.358 0 N-CA-C 107.885 -1.154 . . . . 1.88 107.885 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.552 HD23 ' HB3' ' A' ' 88' ' ' TYR . 12.4 tp -62.29 -52.27 64.38 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-N 113.476 -1.693 . . . . 1.13 108.899 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.537 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 38.2 ttpt -52.19 -44.53 64.76 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 114.097 -1.41 . . . . 2.76 111.539 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.541 ' O ' HG11 ' A' ' 109' ' ' VAL . 3.3 mmp_? -51.87 -47.04 64.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.004 0.43 . . . . 5.05 109.945 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.637 ' O ' HG23 ' A' ' 109' ' ' VAL . 74.2 t60 -71.87 -17.82 62.1 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.417 -0.811 . . . . 1.07 111.994 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.607 ' OE1' ' HA ' ' A' ' 90' ' ' CYS . 2.3 mm100 -84.57 -27.6 27.17 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.531 -1.285 . . . . 1.53 107.531 -178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -75.61 -36.26 60.32 Favored 'General case' 0 CA--C 1.484 -1.573 0 CA-C-N 113.37 -1.741 . . . . 1.43 109.949 -178.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 106' ' ' HIS . 5.0 m -60.93 -23.9 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-O 121.011 0.434 . . . . 1.58 109.862 -175.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.481 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 75.4 m-70 . . . . . 0 CA--C 1.536 0.425 0 CA-C-N 115.682 -0.69 . . . . 1.32 112.301 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 N--CA 1.455 -0.786 0 CA-C-O 121.684 0.619 . . . . 2.31 111.508 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.618 ' HB3' HD23 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -125.03 170.2 11.39 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.124 -1.398 . . . . 2.62 107.735 177.392 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.572 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -157.84 152.76 23.99 Favored Glycine 0 N--CA 1.436 -1.353 0 C-N-CA 119.503 -1.332 . . . . 1.42 112.592 175.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.4 t -64.77 112.99 3.49 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.187 -0.507 . . . . 1.27 110.255 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.73 -14.16 19.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.677 0.751 . . . . 3.94 111.298 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -48.71 6.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.327 -0.851 . . . . 2.13 112.225 -175.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.407 ' SG ' ' HD3' ' A' ' 67' ' ' LYS . 26.6 p -116.29 -20.06 9.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.424 0.63 . . . . 1.38 109.639 -167.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.57 19.35 41.44 Favored Glycine 0 N--CA 1.437 -1.274 0 CA-C-N 114.987 -1.006 . . . . 1.42 114.448 166.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HD3' ' SG ' ' A' ' 65' ' ' CYS . 4.0 mptp? -93.44 128.84 39.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.864 -0.421 . . . . 2.91 109.864 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.572 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -92.22 146.07 24.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.174 0.511 . . . . 1.55 111.676 -178.619 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.623 ' CD2' HD22 ' A' ' 74' ' ' LEU . 43.7 m-85 -123.22 150.42 43.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.441 -0.8 . . . . 1.33 111.694 178.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -73.11 -40.3 65.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.503 -1.226 . . . . 4.43 110.86 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.92 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 5.6 mp -105.19 148.05 27.34 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.096 -0.502 . . . . 2.44 110.668 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.614 HD12 ' CD2' ' A' ' 60' ' ' TYR . 12.3 mm -69.76 -41.35 79.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.59 -0.732 . . . . 1.97 109.372 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 19.3 m -67.81 -28.74 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.931 -0.577 . . . . 2.05 110.38 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.92 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.68 -49.68 74.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-O 121.386 0.612 . . . . 1.62 110.86 176.215 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.618 HD23 ' HB3' ' A' ' 60' ' ' TYR . 12.6 tp -70.27 -30.46 67.49 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.137 -0.938 . . . . 1.73 109.879 176.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -65.42 -38.58 90.35 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.134 -0.939 . . . . 1.34 109.344 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.542 HD12 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -77.68 -21.03 52.68 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.041 -0.981 . . . . 1.24 110.386 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -76.36 -36.15 58.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.717 -0.674 . . . . 0.84 109.64 172.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 79' ' ' LYS . 2.7 tppp? -70.64 -36.82 73.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.245 -1.02 . . . . 2.49 108.245 177.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.996 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.4 ttmt -61.76 -45.32 94.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.526 -1.215 . . . . 1.47 110.467 171.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -57.91 -41.43 82.65 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.254 -0.43 . . . . 4.53 112.071 -176.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -71.82 -31.25 66.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.58 0.228 . . . . 1.17 111.56 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.1 m -101.37 13.37 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.899 0.38 . . . . 2.01 111.063 -174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.26 -58.2 5.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.77 111.32 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.996 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 7.6 pt-20 . . . . . 0 N--CA 1.442 -0.831 0 N-CA-C 109.035 -0.728 . . . . 2.0 109.035 175.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.497 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.9 mmm180 . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 121.932 0.872 . . . . 2.74 111.121 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.1 m-85 -92.35 157.04 16.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.397 -1.274 . . . . 1.36 109.941 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.622 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 19.1 ptt180 -127.04 148.91 50.11 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 108.942 -0.762 . . . . 3.96 108.942 167.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.618 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 1.8 t -61.62 122.23 14.77 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.559 -1.2 . . . . 0.91 107.936 172.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.69 10.98 0.93 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.973 0.416 . . . . 1.6 111.018 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.493 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.8 p30 -120.18 -38.54 2.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.53 . . . . 2.13 111.471 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 p -130.48 2.34 4.57 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 120.042 -0.663 . . . . 1.22 110.331 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.57 32.73 84.3 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.147 -0.933 . . . . 1.06 114.296 173.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 41.7 mttm -81.61 134.7 35.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.968 0.384 . . . . 2.42 110.714 173.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.625 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -93.11 125.8 37.88 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.118 0.485 . . . . 1.4 110.815 -174.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.548 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 74.8 m-85 -125.59 141.41 52.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.288 -0.869 . . . . 0.68 109.93 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.497 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 73.1 p -83.85 -12.75 55.11 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.536 -0.756 . . . . 1.23 110.136 -177.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.422 HG21 ' H ' ' A' ' 101' ' ' GLY . 43.0 m -125.23 129.5 50.19 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.784 -1.098 . . . . 1.34 109.617 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 19.1 p -68.13 -27.12 66.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.084 -0.507 . . . . 0.98 111.24 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' H ' HG21 ' A' ' 99' ' ' THR . . . -78.68 -38.69 23.41 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.908 -0.663 . . . . 0.76 112.732 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -60.63 -40.38 91.72 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 107.736 -1.209 . . . . 1.88 107.736 172.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 88' ' ' TYR . 12.9 tp -60.79 -59.45 5.36 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 113.515 -1.675 . . . . 1.13 109.099 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.632 ' CA ' ' HG3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -40.07 -54.2 2.3 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.028 1.331 . . . . 2.76 112.717 176.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.584 ' O ' HG13 ' A' ' 109' ' ' VAL . 48.3 mtt180 -49.73 -50.39 44.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.543 . . . . 5.05 110.637 175.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.618 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 68.3 t60 -66.69 -17.83 65.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.187 -0.915 . . . . 1.07 111.607 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.632 ' HG3' ' CA ' ' A' ' 104' ' ' LYS . 9.4 mt-30 -85.53 -30.8 23.12 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.501 -1.296 . . . . 1.53 107.501 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -76.68 -27.9 55.72 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-N 113.158 -1.837 . . . . 1.43 110.083 -176.393 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 105' ' ' ARG . 5.0 m -69.41 -17.27 21.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 C-N-CA 119.587 -0.845 . . . . 1.58 109.908 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.573 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 71.6 m-70 . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 115.623 -0.717 . . . . 1.32 111.265 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 CA-C-O 121.872 0.697 . . . . 2.31 111.309 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -119.69 103.57 9.5 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.561 -1.2 . . . . 2.62 109.224 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.722 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -112.59 145.76 18.15 Favored Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 119.361 -1.4 . . . . 1.42 113.945 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.567 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 45.7 t -61.01 137.51 58.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.666 -1.267 . . . . 1.27 111.496 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.41 -30.9 62.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.329 -0.851 . . . . 3.94 110.51 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.489 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -91.75 -34.98 14.39 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.601 -0.727 . . . . 2.13 112.897 -166.006 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.489 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 23.1 p -115.0 -29.64 6.62 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.854 -0.795 . . . . 1.38 108.854 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 91.51 18.56 44.72 Favored Glycine 0 N--CA 1.433 -1.526 0 CA-C-N 114.363 -1.29 . . . . 1.42 113.642 172.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -88.58 131.0 35.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.782 -0.451 . . . . 2.91 109.782 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.722 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -95.07 138.72 32.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.28 0.562 . . . . 1.55 112.214 -174.728 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.786 ' HH ' ' HD1' ' A' ' 78' ' ' HIS . 38.4 m-85 -114.89 -178.87 3.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.182 -0.917 . . . . 1.33 110.418 175.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -102.7 -40.47 6.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.141 -0.481 . . . . 4.43 110.969 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.725 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 3.6 mp -101.03 151.0 22.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.219 -0.446 . . . . 2.44 110.729 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.562 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 18.5 mm -64.94 -46.9 90.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.601 -0.518 . . . . 1.97 109.601 174.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 14.6 m -62.55 -34.38 76.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.294 -0.412 . . . . 2.05 110.641 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.725 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.9 mt -56.21 -54.78 41.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.972 0.891 . . . . 1.62 111.546 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 tp -72.08 -24.41 61.5 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.157 -1.383 . . . . 1.73 110.002 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.562 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -72.03 -37.13 69.81 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.577 -1.192 . . . . 1.34 109.36 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.488 HD11 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -80.21 -21.93 42.37 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.347 -0.842 . . . . 1.24 109.904 177.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.786 ' HD1' ' HH ' ' A' ' 69' ' ' TYR . 41.2 t60 -67.92 -42.53 80.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.25 -0.886 . . . . 0.84 109.188 170.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.808 ' HD2' HD23 ' A' ' 96' ' ' LEU . 36.1 ttmt -69.97 -38.26 76.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.247 -0.888 . . . . 2.49 108.993 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.937 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 24.9 ttmt -62.55 -36.3 82.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.202 -0.908 . . . . 1.47 110.797 172.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -65.97 -34.63 78.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.816 0.302 . . . . 4.53 111.816 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -72.64 -47.47 47.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.738 0.304 . . . . 1.17 111.125 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.1 p -73.82 -18.06 61.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.092 0.472 . . . . 2.01 110.61 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.89 -48.02 0.99 Allowed Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 109.862 -1.295 . . . . 0.77 109.862 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.937 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 9.2 pt-20 . . . . . 0 N--CA 1.445 -0.683 0 N-CA-C 109.008 -0.738 . . . . 2.0 109.008 172.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 46.8 mmm-85 . . . . . 0 N--CA 1.437 -1.097 0 CA-C-O 121.637 0.732 . . . . 2.74 111.519 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.628 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.8 m-85 -86.93 154.98 20.4 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.277 -1.329 . . . . 1.36 109.837 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 21.8 ptt180 -126.58 154.17 44.28 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.623 0.725 . . . . 3.96 109.52 169.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.48 ' C ' ' H ' ' A' ' 92' ' ' ASP . 43.7 t -66.92 113.22 4.78 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 114.622 -1.172 . . . . 0.91 108.401 169.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.52 1.41 1.2 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.155 0.502 . . . . 1.6 111.033 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' A' ' 90' ' ' CYS . 12.0 t70 -104.36 -46.24 4.45 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.226 -0.443 . . . . 2.13 110.113 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.681 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 8.6 p -129.45 -2.92 4.9 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 118.911 -1.116 . . . . 1.22 111.669 -174.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.02 39.71 45.13 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.511 -0.768 . . . . 1.06 114.165 167.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.681 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 56.9 mttt -91.28 136.63 32.97 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.183 -0.673 . . . . 2.42 109.183 173.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.808 HD23 ' HD2' ' A' ' 79' ' ' LYS . 3.5 mm? -96.94 122.57 40.07 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.011 0.434 . . . . 1.4 111.221 -172.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.556 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 78.5 m-85 -118.82 137.42 53.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.578 -0.737 . . . . 0.68 110.175 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.487 HG21 ' O ' ' A' ' 85' ' ' GLU . 49.0 p -79.1 -4.73 51.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.733 0.778 . . . . 1.23 110.134 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.401 HG21 ' H ' ' A' ' 101' ' ' GLY . 86.0 m -135.56 129.77 33.49 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.461 -1.245 . . . . 1.34 109.465 -175.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 59.9 p -71.56 -23.54 61.77 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.167 -0.308 . . . . 0.98 110.167 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.401 ' H ' HG21 ' A' ' 99' ' ' THR . . . -76.24 -43.47 20.66 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.1 -0.571 . . . . 0.76 112.44 174.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.97 -37.19 81.54 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.199 -1.037 . . . . 1.88 108.199 173.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 88' ' ' TYR . 17.8 tp -64.72 -51.91 59.88 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 113.695 -1.593 . . . . 1.13 108.998 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 108' ' ' LEU . 40.5 ttmt -49.84 -49.78 47.8 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.59 -1.186 . . . . 2.76 111.572 179.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.506 ' O ' HG11 ' A' ' 109' ' ' VAL . 19.4 mmm180 -51.08 -44.2 61.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.444 0.64 . . . . 5.05 110.404 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.644 ' CE1' ' HD2' ' A' ' 95' ' ' LYS . 71.2 t60 -76.48 -15.65 59.85 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.92 -1.037 . . . . 1.07 111.411 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.59 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.4 mm-40 -85.39 -27.89 25.51 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.816 -1.55 . . . . 1.53 106.816 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -80.45 -13.7 58.9 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-N 113.315 -1.766 . . . . 1.43 110.858 -176.47 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 106' ' ' HIS . 7.0 m -83.66 -17.62 10.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 C-N-CA 119.782 -0.767 . . . . 1.58 109.496 174.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 60.4 m-70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.434 -0.803 . . . . 1.32 110.434 176.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo . . . . . 0 N--CA 1.453 -0.891 0 CA-C-O 121.747 0.645 . . . . 2.31 110.951 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -106.12 102.24 11.67 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.117 -1.401 . . . . 2.62 108.568 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.761 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -115.5 150.28 18.7 Favored Glycine 0 N--CA 1.425 -2.04 0 C-N-CA 119.131 -1.509 . . . . 1.42 114.905 -167.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.425 ' C ' ' H ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -71.94 103.7 3.28 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 113.08 -1.56 . . . . 1.27 109.637 177.608 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.48 -6.58 11.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.038 0.923 . . . . 3.94 109.999 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 62' ' ' CYS . 0.3 OUTLIER -90.19 -38.14 13.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.533 -1.212 . . . . 2.13 112.354 -175.375 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 11.9 p -127.17 -18.58 4.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.217 0.532 . . . . 1.38 110.679 -174.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.79 26.62 19.23 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-N 115.558 -0.747 . . . . 1.42 114.055 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -110.89 130.39 55.59 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.868 -0.419 . . . . 2.91 109.868 174.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.761 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -104.99 143.52 33.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.051 0.453 . . . . 1.55 111.482 -176.79 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.507 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 31.3 m-85 -113.59 168.92 9.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.403 -0.817 . . . . 1.33 111.943 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.438 ' C ' HD11 ' A' ' 71' ' ' LEU . 25.0 ttt180 -83.94 -41.97 16.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.14 -0.936 . . . . 4.43 110.761 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.522 HD23 HD12 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -111.99 164.59 12.95 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.613 -0.267 . . . . 2.44 110.654 179.743 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 15.6 mm -71.08 -42.9 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 109.52 -0.548 . . . . 1.97 109.52 174.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -61.82 -34.94 76.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.101 -0.5 . . . . 2.05 110.506 177.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.522 HD12 HD23 ' A' ' 71' ' ' LEU . 1.7 mt -57.18 -54.68 44.08 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.694 0.759 . . . . 1.62 111.324 175.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.2 tp -72.14 -24.13 61.41 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.713 -1.13 . . . . 1.73 109.623 -178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.2 t-20 -68.01 -37.44 81.44 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.698 -1.137 . . . . 1.34 108.959 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.655 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 1.5 mm? -78.89 -29.79 44.56 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 115.308 -0.86 . . . . 1.24 110.217 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 67.2 t60 -66.58 -37.76 85.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.537 0.684 . . . . 0.84 109.358 172.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.544 ' HG3' HD23 ' A' ' 96' ' ' LEU . 17.0 tppt? -73.35 -33.41 65.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.332 -0.849 . . . . 2.49 109.091 178.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.978 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.0 ttmt -67.59 -31.86 72.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.346 -0.843 . . . . 1.47 110.134 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 33.0 mmt180 -59.95 -49.32 78.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.9 0.381 . . . . 4.53 111.301 176.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -65.59 -33.04 74.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 1.17 111.797 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.7 p -95.02 1.76 55.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.99 0.424 . . . . 2.01 111.638 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.86 -54.74 4.98 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.364 -1.094 . . . . 0.77 110.364 -172.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.978 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 11.3 pt-20 . . . . . 0 N--CA 1.44 -0.96 0 N-CA-C 108.602 -0.888 . . . . 2.0 108.602 169.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.697 ' HG3' ' HA ' ' A' ' 98' ' ' THR . 22.5 mmm-85 . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 121.295 0.569 . . . . 2.74 111.079 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.677 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 5.2 m-85 -94.7 147.37 23.39 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.339 -0.846 . . . . 1.36 110.287 178.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.73 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 14.4 mtt180 -108.8 154.39 22.14 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.869 0.842 . . . . 3.96 109.359 170.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.569 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 3.3 t -75.76 116.18 16.21 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 106.893 -1.521 . . . . 0.91 106.893 168.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.23 0.03 0.2 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.286 0.476 . . . . 1.6 112.286 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.485 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.3 p30 -113.02 -40.88 3.84 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 111.495 0.183 . . . . 2.13 111.495 -178.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.618 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.2 p -130.43 2.54 4.61 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 119.873 -0.731 . . . . 1.22 110.996 -170.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.39 39.07 94.33 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.09 -0.959 . . . . 1.06 114.586 173.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.709 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 38.5 mtpt -80.11 145.78 32.22 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 109.024 -0.732 . . . . 2.42 109.024 169.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.73 ' CD1' ' HG3' ' A' ' 89' ' ' ARG . 3.9 mm? -103.3 118.56 37.04 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.438 0.637 . . . . 1.4 110.713 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.55 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 89.9 m-85 -116.63 139.87 50.04 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.152 -0.931 . . . . 0.68 109.981 177.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.697 ' HA ' ' HG3' ' A' ' 87' ' ' ARG . 71.2 p -88.76 11.38 17.88 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.872 0.844 . . . . 1.23 110.549 -175.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.43 ' HB ' ' OD1' ' A' ' 102' ' ' ASN . 6.6 m -155.31 130.34 9.43 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 114.824 -1.08 . . . . 1.34 108.667 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.451 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 72.4 p -65.8 -25.95 67.47 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.3 -0.409 . . . . 0.98 110.732 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.61 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -71.87 -47.51 32.0 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.948 -0.644 . . . . 0.76 112.155 174.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.43 ' OD1' ' HB ' ' A' ' 99' ' ' THR . 13.4 m120 -55.42 -40.28 71.3 Favored 'General case' 0 CA--C 1.494 -1.2 0 N-CA-C 108.419 -0.956 . . . . 1.88 108.419 173.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 88' ' ' TYR . 20.6 tp -64.72 -51.93 59.8 Favored 'General case' 0 N--CA 1.421 -1.903 0 CA-C-N 113.75 -1.568 . . . . 1.13 109.311 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.598 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 41.4 ttmt -52.46 -48.26 65.96 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.418 -1.264 . . . . 2.76 111.775 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 43.5 mtm180 -56.2 -38.93 71.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.418 0.628 . . . . 5.05 109.98 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.695 ' O ' HG21 ' A' ' 109' ' ' VAL . 79.4 t60 -76.94 -18.59 58.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.343 -0.844 . . . . 1.07 111.236 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.598 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -81.44 -27.49 34.65 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 106.552 -1.647 . . . . 1.53 106.552 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -83.14 -8.43 59.51 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 112.907 -1.951 . . . . 1.43 111.335 -175.262 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.695 HG21 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -87.06 -21.09 7.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 119.676 -0.809 . . . . 1.58 108.931 172.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.529 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 73.6 m-70 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.289 -0.869 . . . . 1.32 109.791 175.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 CA-C-O 121.804 0.668 . . . . 2.31 112.061 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.411 ' HB3' HD21 ' A' ' 75' ' ' LEU . 28.6 m-85 -93.12 97.33 10.61 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.524 -1.216 . . . . 2.62 108.319 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.635 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -117.98 143.57 17.77 Favored Glycine 0 N--CA 1.434 -1.459 0 C-N-CA 119.693 -1.241 . . . . 1.42 114.519 -169.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.527 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 3.1 t -69.8 104.05 2.35 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.451 -1.375 . . . . 1.27 109.871 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.06 0.75 5.53 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.625 0.726 . . . . 3.94 110.872 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 2.3 tt0 -81.86 -46.99 13.36 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.947 -1.024 . . . . 2.13 110.736 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.13 -16.53 6.95 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.546 0.689 . . . . 1.38 110.242 -171.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.97 29.06 12.15 Favored Glycine 0 N--CA 1.435 -1.408 0 CA-C-N 115.105 -0.952 . . . . 1.42 113.921 169.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -110.26 128.98 55.8 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.959 -0.385 . . . . 2.91 109.959 176.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.635 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -105.04 138.7 40.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.086 0.47 . . . . 1.55 111.072 -179.323 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.552 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 61.3 m-85 -115.65 158.17 23.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.786 -0.643 . . . . 1.33 111.501 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -74.34 -40.56 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.048 -0.978 . . . . 4.43 110.825 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 8.3 mp -108.79 154.99 21.28 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.846 -0.615 . . . . 2.44 111.697 -175.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.572 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 21.3 mm -66.59 -42.53 90.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.92 -1.036 . . . . 1.97 109.766 171.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 12.9 m -66.74 -32.2 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.12 0.486 . . . . 2.05 110.407 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.8 mt -59.63 -54.46 46.14 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.711 0.767 . . . . 1.62 111.249 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.9 tp -71.35 -24.08 62.03 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.482 -1.235 . . . . 1.73 109.686 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.572 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -67.63 -41.8 83.3 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.504 -1.225 . . . . 1.34 109.354 176.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.7 mm? -78.07 -19.72 53.7 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.235 -0.893 . . . . 1.24 110.286 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -68.97 -44.7 72.37 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.086 -0.709 . . . . 0.84 109.086 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HD2' HD23 ' A' ' 96' ' ' LEU . 36.4 ttmt -68.66 -40.28 80.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.902 -1.044 . . . . 2.49 108.913 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.786 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.2 ttmt -64.91 -34.83 79.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.017 -0.992 . . . . 1.47 110.768 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -62.42 -38.07 88.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.671 -0.241 . . . . 4.53 111.461 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -61.33 -39.04 89.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 1.17 112.126 -176.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p -105.16 17.6 23.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.928 0.394 . . . . 2.01 111.317 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.42 -55.6 4.97 Favored Glycine 0 CA--C 1.507 -0.423 0 N-CA-C 111.402 -0.679 . . . . 0.77 111.402 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 1.018 ' HG3' ' HE ' ' A' ' 87' ' ' ARG . 1.3 pm0 . . . . . 0 N--CA 1.435 -1.187 0 N-CA-C 108.569 -0.9 . . . . 2.0 108.569 172.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 1.018 ' HE ' ' HG3' ' A' ' 85' ' ' GLU . 16.2 mmt85 . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 121.739 0.78 . . . . 2.74 111.137 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 24.5 m-85 -88.87 156.42 18.94 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.709 -1.132 . . . . 1.36 109.659 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 23.4 ptt180 -127.0 152.55 47.07 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 108.268 -1.012 . . . . 3.96 108.268 167.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.668 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 0.5 OUTLIER -68.97 112.79 5.84 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.247 -1.39 . . . . 0.91 107.247 170.01 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.81 9.34 0.19 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.611 0.641 . . . . 1.6 111.99 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.5 p30 -117.76 -35.17 3.99 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.14 -0.482 . . . . 2.13 111.291 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.6 p -130.04 -0.44 4.69 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.585 0.707 . . . . 1.22 110.441 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.75 34.88 84.28 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 114.915 -1.039 . . . . 1.06 114.377 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.592 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 42.4 mttp -82.48 131.33 35.22 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 110.275 -0.268 . . . . 2.42 110.275 170.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.601 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.2 mm? -92.1 123.88 35.78 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.249 0.547 . . . . 1.4 110.426 -176.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.557 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 56.9 m-85 -121.44 137.07 54.87 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.473 -0.785 . . . . 0.68 110.01 176.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.438 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 73.0 p -87.38 -5.35 58.9 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.334 -0.848 . . . . 1.23 110.107 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.8 m -126.61 128.25 46.5 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.575 -1.193 . . . . 1.34 108.516 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 51.4 p -71.83 -24.65 61.74 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.52 -0.309 . . . . 0.98 110.522 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.496 ' HA2' ' HB3' ' A' ' 104' ' ' LYS . . . -75.42 -38.87 37.31 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.68 -0.771 . . . . 0.76 112.402 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.82 -40.38 92.54 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 107.932 -1.136 . . . . 1.88 107.932 172.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.563 HD21 ' CB ' ' A' ' 88' ' ' TYR . 15.8 tp -63.5 -55.69 22.02 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 113.538 -1.665 . . . . 1.13 109.555 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.557 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 27.6 ttmt -47.14 -51.62 17.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.406 -1.27 . . . . 2.76 112.708 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.453 ' O ' HG12 ' A' ' 109' ' ' VAL . 49.8 mtt180 -57.0 -38.83 73.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.5 0.667 . . . . 5.05 110.007 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.668 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 56.4 t60 -75.54 -16.34 60.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.959 -1.019 . . . . 1.07 111.168 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.557 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.7 mm-40 -85.71 -27.21 25.45 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.204 -1.406 . . . . 1.53 107.204 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -82.07 -11.4 58.81 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 113.306 -1.77 . . . . 1.43 111.133 -176.117 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 106' ' ' HIS . 10.2 m -82.88 -20.99 9.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 C-N-CA 119.811 -0.756 . . . . 1.58 108.966 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.505 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 65.7 m-70 . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 115.507 -0.769 . . . . 1.32 110.331 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 CA-C-O 121.907 0.711 . . . . 2.31 112.713 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -124.96 91.03 3.35 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.488 -1.233 . . . . 2.62 107.771 171.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.927 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -109.46 147.41 16.99 Favored Glycine 0 N--CA 1.432 -1.61 0 C-N-CA 119.862 -1.161 . . . . 1.42 113.766 -169.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.65 112.31 6.05 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.961 -1.12 . . . . 1.27 109.478 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.3 -1.11 16.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.172 0.51 . . . . 3.94 111.933 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.42 -40.69 9.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.128 0.418 . . . . 2.13 112.128 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 p -121.81 -0.56 9.58 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.018 0.913 . . . . 1.38 109.226 -171.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.74 36.7 92.63 Favored Glycine 0 N--CA 1.436 -1.351 0 CA-C-N 113.903 -1.499 . . . . 1.42 113.394 173.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -110.85 109.61 19.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.81 -0.441 . . . . 2.91 109.81 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.927 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -88.49 143.73 26.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.195 0.521 . . . . 1.55 110.601 -178.482 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.574 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 34.8 m-85 -120.59 166.02 14.22 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.511 -0.768 . . . . 1.33 110.994 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.436 ' C ' HD11 ' A' ' 71' ' ' LEU . 21.6 mmm180 -80.89 -41.16 23.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.769 -0.651 . . . . 4.43 111.256 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.544 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -112.07 161.54 16.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 121.101 -0.24 . . . . 2.44 110.385 -179.727 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 9.2 mm -68.48 -42.5 83.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.456 -0.572 . . . . 1.97 109.456 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.419 ' O ' HD22 ' A' ' 77' ' ' LEU . 8.9 m -62.05 -35.73 79.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.082 0.467 . . . . 2.05 110.653 177.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 1.6 mt -56.1 -55.48 32.46 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.671 0.748 . . . . 1.62 111.35 174.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.3 tp -69.26 -25.81 64.46 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 114.547 -1.206 . . . . 1.73 109.904 -178.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -70.49 -36.71 73.99 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.837 -1.074 . . . . 1.34 109.098 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.521 HD11 ' HD2' ' A' ' 80' ' ' LYS . 1.9 mm? -80.6 -19.95 44.36 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.026 -0.988 . . . . 1.24 110.044 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -70.05 -43.09 71.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 0.84 109.466 169.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -70.4 -34.74 72.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.325 -0.852 . . . . 2.49 109.058 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.831 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 27.7 ttmt -66.07 -38.74 89.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.863 -1.062 . . . . 1.47 110.059 171.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -59.96 -40.96 90.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.145 -0.479 . . . . 4.53 111.587 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -57.32 -41.86 80.73 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.886 0.374 . . . . 1.17 111.432 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -95.72 9.36 40.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.133 0.492 . . . . 2.01 110.504 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.88 -58.24 4.92 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.61 -0.996 . . . . 0.77 110.61 -172.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.831 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.0 pm0 . . . . . 0 N--CA 1.433 -1.321 0 N-CA-C 108.671 -0.863 . . . . 2.0 108.671 171.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.647 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 30.2 mmm180 . . . . . 0 N--CA 1.447 -0.595 0 CA-C-O 121.092 0.472 . . . . 2.74 111.469 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.623 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.8 m-85 -87.38 159.67 18.64 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.288 -0.869 . . . . 1.36 110.052 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 27.2 ptt-85 -126.53 151.71 47.5 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 108.235 -1.024 . . . . 3.96 108.235 166.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.63 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 0.8 OUTLIER -65.14 115.45 5.5 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 107.63 -1.248 . . . . 0.91 107.63 172.362 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.87 12.95 0.11 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.908 0.385 . . . . 1.6 111.702 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.6 p30 -120.54 -37.54 3.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.232 -0.44 . . . . 2.13 111.579 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.457 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.9 p -131.23 4.43 4.38 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.401 0.619 . . . . 1.22 111.027 -173.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.88 34.46 82.96 Favored Glycine 0 C--N 1.333 0.386 0 CA-C-N 115.039 -0.982 . . . . 1.06 114.458 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 49.1 mttp -85.58 129.69 34.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.264 -0.273 . . . . 2.42 110.264 173.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.623 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.4 mm? -87.37 121.2 29.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.195 0.521 . . . . 1.4 110.77 -176.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.565 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 66.1 m-85 -119.18 129.54 55.04 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.446 -0.797 . . . . 0.68 110.089 176.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.647 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 39.9 p -72.44 -12.78 61.24 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.655 -1.157 . . . . 1.23 110.897 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.454 ' HB ' ' ND2' ' A' ' 102' ' ' ASN . 8.7 m -131.34 129.42 41.38 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 114.992 -1.004 . . . . 1.34 108.917 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 22.5 p -68.26 -29.05 67.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.294 -0.412 . . . . 0.98 110.879 -176.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.453 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -70.29 -40.84 69.74 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.963 -0.637 . . . . 0.76 112.468 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.454 ' ND2' ' HB ' ' A' ' 99' ' ' THR . 96.3 m-20 -62.98 -39.02 93.46 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.41 -0.959 . . . . 1.88 108.41 173.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.565 ' HB2' ' HB2' ' A' ' 97' ' ' PHE . 12.4 tp -62.5 -52.18 64.49 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 113.935 -1.484 . . . . 1.13 109.203 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.576 ' O ' HD11 ' A' ' 108' ' ' LEU . 53.5 mttm -48.19 -49.64 32.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.556 -1.202 . . . . 2.76 112.037 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.502 ' O ' HG12 ' A' ' 109' ' ' VAL . 26.3 mmm180 -54.99 -42.97 73.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.1 0.476 . . . . 5.05 110.046 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.63 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 65.9 t60 -73.73 -16.53 61.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.458 -0.792 . . . . 1.07 111.291 178.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.531 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 3.9 mm-40 -83.85 -30.59 26.35 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.507 -1.294 . . . . 1.53 107.507 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -78.18 -22.21 48.99 Favored 'General case' 0 C--O 1.205 -1.271 0 CA-C-N 113.436 -1.711 . . . . 1.43 110.515 -175.243 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.625 HG21 ' O ' ' A' ' 106' ' ' HIS . 5.9 m -72.39 -21.19 20.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 C-N-CA 119.71 -0.796 . . . . 1.58 109.602 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.52 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 68.0 m-70 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.642 -0.708 . . . . 1.32 111.203 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 N--CA 1.447 -1.222 0 CA-C-O 121.887 0.703 . . . . 2.31 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.418 ' CE2' HG12 ' A' ' 72' ' ' ILE . 64.3 m-85 -125.39 96.3 4.77 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.278 -1.328 . . . . 2.62 108.848 -175.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.984 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -105.95 145.02 15.88 Favored Glycine 0 N--CA 1.428 -1.888 0 C-N-CA 119.915 -1.136 . . . . 1.42 113.597 -169.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.479 ' C ' ' H ' ' A' ' 64' ' ' GLU . 3.6 t -71.37 100.07 2.09 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 113.962 -1.119 . . . . 1.27 109.314 176.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -69.93 3.41 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.866 0.841 . . . . 3.94 110.444 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 62' ' ' CYS . 1.1 tt0 -90.46 -43.07 10.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.39 -1.277 . . . . 2.13 111.446 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.5 p -122.48 -19.12 6.48 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.581 0.705 . . . . 1.38 110.05 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.88 28.43 12.15 Favored Glycine 0 N--CA 1.429 -1.785 0 CA-C-N 114.974 -1.012 . . . . 1.42 113.637 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.57 123.86 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.776 -0.453 . . . . 2.91 109.776 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.984 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -99.82 145.82 27.3 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.378 -0.529 . . . . 1.55 110.76 -178.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.54 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 30.0 m-85 -117.81 160.1 21.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.847 -0.615 . . . . 1.33 111.822 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . 2.9 tpm_? -73.14 -38.14 66.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.057 -0.974 . . . . 4.43 110.964 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.604 ' HG ' HD13 ' A' ' 74' ' ' LEU . 17.6 mt -120.3 168.21 11.5 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.153 0.501 . . . . 2.44 111.177 -175.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.5 mm -70.09 -53.02 25.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.304 -0.862 . . . . 1.97 110.157 175.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 m -60.44 -30.23 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.236 0.541 . . . . 2.05 110.541 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.604 HD13 ' HG ' ' A' ' 71' ' ' LEU . 3.2 mt -59.59 -55.3 36.26 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.589 -0.732 . . . . 1.62 111.949 174.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.4 tp -72.27 -24.55 61.37 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.201 -0.909 . . . . 1.73 109.27 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.1 t-20 -67.37 -38.92 85.52 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.778 -1.101 . . . . 1.34 109.138 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 3.0 mm? -79.99 -19.53 47.59 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.203 -0.908 . . . . 1.24 110.417 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -72.6 -41.22 65.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.65 -0.704 . . . . 0.84 109.369 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -70.09 -40.48 74.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.731 -0.84 . . . . 2.49 108.731 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 1.053 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.9 ttmt -65.85 -22.78 66.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.503 -1.226 . . . . 1.47 110.618 174.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -75.39 -24.87 57.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 4.53 111.506 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -82.31 -51.13 8.2 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.431 0.53 . . . . 1.17 112.431 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.4 t -104.33 30.95 4.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.932 0.396 . . . . 2.01 111.53 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.15 -53.72 4.79 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.173 -0.771 . . . . 0.77 111.173 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 1.053 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 7.8 pt-20 . . . . . 0 N--CA 1.445 -0.714 0 CA-C-O 121.069 0.462 . . . . 2.0 109.795 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.806 ' HD2' ' HA ' ' A' ' 98' ' ' THR . 97.7 mtt180 . . . . . 0 N--CA 1.441 -0.894 0 CA-C-O 122.25 1.024 . . . . 2.74 112.879 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 40.5 m-85 -83.68 151.85 25.05 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 113.416 -1.72 . . . . 1.36 109.936 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.61 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 36.5 ptt180 -123.48 152.58 41.54 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 120.05 -0.66 . . . . 3.96 109.466 166.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.472 ' C ' ' H ' ' A' ' 92' ' ' ASP . 41.9 t -58.18 116.59 3.66 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.789 -1.189 . . . . 0.91 107.789 170.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -76.48 16.2 0.51 Allowed 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.272 0.558 . . . . 1.6 110.27 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 90' ' ' CYS . 3.0 t70 -120.76 -39.17 2.76 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.743 -0.662 . . . . 2.13 111.018 175.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.693 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 14.7 p -125.79 -19.07 4.98 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 119.23 -0.988 . . . . 1.22 111.607 -177.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 93.22 34.77 6.57 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 114.381 0.512 . . . . 1.06 114.381 169.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.693 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 65.5 mttt -87.01 134.24 33.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.085 -0.339 . . . . 2.42 110.085 174.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.649 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -88.11 123.03 32.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.153 0.501 . . . . 1.4 110.734 -176.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.524 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 81.3 m-85 -118.29 143.21 46.76 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.379 -0.828 . . . . 0.68 110.212 175.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.806 ' HA ' ' HD2' ' A' ' 87' ' ' ARG . 42.8 p -89.02 -11.69 43.47 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.067 -0.969 . . . . 1.23 110.091 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.521 ' HB ' HD21 ' A' ' 102' ' ' ASN . 53.6 m -120.71 127.78 52.34 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.093 -0.958 . . . . 1.34 108.906 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.571 ' O ' ' HB3' ' A' ' 104' ' ' LYS . 18.6 p -72.22 -23.75 61.28 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.445 -0.343 . . . . 0.98 110.489 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.665 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -73.43 -42.3 41.87 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.734 -0.746 . . . . 0.76 112.602 174.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.521 HD21 ' HB ' ' A' ' 99' ' ' THR . 36.4 m-80 -63.0 -34.54 77.78 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.176 -1.046 . . . . 1.88 108.176 173.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.625 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 10.9 tp -66.96 -52.67 39.96 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-N 114.333 -1.303 . . . . 1.13 109.928 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 101' ' ' GLY . 36.4 pttt -58.54 -42.06 86.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.336 -1.302 . . . . 2.76 111.593 -175.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.665 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 42.6 mtm180 -63.2 -35.73 81.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 5.05 109.583 176.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.646 ' CE1' ' HD2' ' A' ' 95' ' ' LYS . 58.5 t60 -73.32 -17.78 61.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.634 -1.166 . . . . 1.07 111.256 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 12.7 mm-40 -85.28 -27.58 25.89 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.778 -1.193 . . . . 1.53 107.778 178.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -82.97 -13.16 56.52 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 113.358 -1.746 . . . . 1.43 111.019 -175.757 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.615 HG21 ' O ' ' A' ' 106' ' ' HIS . 11.3 m -81.08 -19.47 11.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 N-CA-C 108.79 -0.818 . . . . 1.58 108.79 173.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.361 -0.836 . . . . 1.32 110.677 176.042 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo . . . . . 0 N--CA 1.451 -1.027 0 CA-C-O 121.715 0.631 . . . . 2.31 112.83 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.485 ' HB3' HD22 ' A' ' 75' ' ' LEU . 45.0 m-85 -123.3 100.86 7.05 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.456 -1.247 . . . . 2.62 108.49 171.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.655 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -114.13 144.66 18.33 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 119.983 -1.103 . . . . 1.42 113.471 -171.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.2 t -60.42 124.84 21.55 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.226 -0.987 . . . . 1.27 109.911 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.78 -11.1 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.481 0.658 . . . . 3.94 110.25 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -92.17 -40.35 11.06 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.402 -0.817 . . . . 2.13 112.128 -172.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.465 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 18.3 p -118.19 -25.67 6.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.868 0.842 . . . . 1.38 109.665 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.85 20.9 35.22 Favored Glycine 0 N--CA 1.429 -1.796 0 CA-C-N 114.593 -1.185 . . . . 1.42 113.366 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.74 122.54 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.799 -0.445 . . . . 2.91 109.799 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.655 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -91.29 142.18 27.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 1.55 111.646 -177.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.51 ' CD2' HD23 ' A' ' 74' ' ' LEU . 54.4 m-85 -123.34 161.48 24.59 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.528 -0.76 . . . . 1.33 110.268 175.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.05 -36.08 17.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.768 -0.651 . . . . 4.43 110.271 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 2.7 mp -102.37 150.92 22.86 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.619 -0.719 . . . . 2.44 110.683 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 10.7 mm -65.57 -46.95 88.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 1.97 110.121 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 54.9 m -65.97 -27.87 68.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 2.05 110.64 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 2.0 mt -60.02 -54.7 42.87 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.711 0.767 . . . . 1.62 111.309 174.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 60' ' ' TYR . 11.5 tp -69.64 -27.25 64.9 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.46 -1.245 . . . . 1.73 109.976 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -69.49 -37.75 77.36 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.499 -1.228 . . . . 1.34 108.967 179.419 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.707 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 0.7 OUTLIER -76.99 -28.84 55.24 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 115.134 -0.939 . . . . 1.24 110.021 177.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.414 ' HA ' ' HG2' ' A' ' 81' ' ' ARG . 48.4 t60 -61.47 -41.76 97.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.84 109.745 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.742 ' HG2' HD22 ' A' ' 96' ' ' LEU . 1.2 tppp? -71.45 -26.57 62.78 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.63 -0.878 . . . . 2.49 108.63 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.577 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 32.0 ttmt -70.38 -38.92 74.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.223 -0.898 . . . . 1.47 110.086 171.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 38.0 mmt180 -54.41 -47.45 72.76 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.845 0.355 . . . . 4.53 111.411 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -62.99 -22.13 66.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.642 -0.708 . . . . 1.17 112.777 -173.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.5 m -117.01 12.2 14.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.032 0.444 . . . . 2.01 110.663 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.71 -53.96 4.35 Favored Glycine 0 N--CA 1.453 -0.206 0 N-CA-C 111.405 -0.678 . . . . 0.77 111.405 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.577 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.3 pt-20 . . . . . 0 N--CA 1.431 -1.389 0 N-CA-C 107.544 -1.28 . . . . 2.0 107.544 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.576 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.3 mmm180 . . . . . 0 N--CA 1.437 -1.118 0 CA-C-O 121.446 0.641 . . . . 2.74 110.92 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.615 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.9 m-85 -97.17 151.41 19.85 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.837 -1.074 . . . . 1.36 111.414 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.54 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 38.2 mtt180 -109.87 155.22 21.96 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.611 -0.885 . . . . 3.96 108.611 168.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.513 ' C ' ' H ' ' A' ' 92' ' ' ASP . 9.4 t -74.03 114.11 11.97 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 105.935 -1.876 . . . . 0.91 105.935 158.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.59 0.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.114 0.415 . . . . 1.6 111.408 -176.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -108.92 -40.92 4.87 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 116.432 -0.349 . . . . 2.13 110.716 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 3.6 p -131.42 1.77 4.15 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 119.248 -0.981 . . . . 1.22 111.245 -170.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.92 39.22 95.24 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.309 -0.86 . . . . 1.06 113.585 171.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.648 ' HD2' ' CE1' ' A' ' 106' ' ' HIS . 85.0 mttt -80.43 131.25 35.56 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.286 -1.005 . . . . 2.42 108.286 166.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.742 HD22 ' HG2' ' A' ' 79' ' ' LYS . 4.1 mm? -96.53 114.55 26.22 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.221 0.534 . . . . 1.4 110.489 -174.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.53 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 58.6 m-85 -110.44 136.46 49.55 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 121.578 0.704 . . . . 0.68 110.182 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.576 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 71.3 p -81.7 -8.21 59.68 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.699 -1.137 . . . . 1.23 110.276 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 101' ' ' GLY . 40.7 m -132.12 128.72 38.72 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.699 -1.137 . . . . 1.34 109.284 176.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 5.3 p -66.91 -25.07 66.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.805 -0.634 . . . . 0.98 110.906 -177.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.634 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -73.04 -46.28 28.86 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.903 -0.665 . . . . 0.76 112.264 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.01 -39.4 71.84 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.599 -0.889 . . . . 1.88 108.599 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.559 HD23 ' CB ' ' A' ' 88' ' ' TYR . 16.0 tp -63.53 -52.2 62.18 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-N 113.863 -1.517 . . . . 1.13 109.502 178.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.601 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 24.2 ttpp -50.93 -45.92 60.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.265 -1.334 . . . . 2.76 111.913 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 101' ' ' GLY . 27.8 mmt180 -56.57 -42.27 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 5.05 109.251 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.672 ' O ' HG21 ' A' ' 109' ' ' VAL . 79.7 t60 -75.76 -16.94 60.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.631 -1.168 . . . . 1.07 111.949 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.601 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 3.1 mm-40 -82.26 -27.13 32.6 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 106.733 -1.58 . . . . 1.53 106.733 -178.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -80.41 -25.85 38.82 Favored 'General case' 0 C--O 1.2 -1.536 0 CA-C-N 112.914 -1.948 . . . . 1.43 110.614 -177.377 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.672 HG21 ' O ' ' A' ' 106' ' ' HIS . 4.6 m -70.15 -22.92 24.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 C-N-CA 119.525 -0.87 . . . . 1.58 109.558 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.47 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 81.1 m-70 . . . . . 0 C--O 1.233 0.225 0 CA-C-N 115.862 -0.608 . . . . 1.32 111.272 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo . . . . . 0 N--CA 1.456 -0.715 0 CA-C-O 121.908 0.712 . . . . 2.31 111.353 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.61 ' CD2' HD13 ' A' ' 72' ' ' ILE . 3.8 m-30 -116.53 116.11 27.02 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 114.103 -1.408 . . . . 2.62 109.252 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.644 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -124.74 142.35 13.87 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 119.237 -1.458 . . . . 1.42 114.646 -171.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.435 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -63.45 123.47 18.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.798 -1.201 . . . . 1.27 110.017 177.094 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.51 -12.06 60.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.827 0.346 . . . . 3.94 111.739 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -35.34 11.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.123 0.786 . . . . 2.13 113.123 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 4.2 p -119.94 -3.05 10.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.917 0.865 . . . . 1.38 108.995 -174.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.12 37.77 95.03 Favored Glycine 0 N--CA 1.436 -1.358 0 CA-C-N 113.785 -1.552 . . . . 1.42 113.804 173.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -110.54 114.7 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.162 -0.31 . . . . 2.91 110.162 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.644 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -93.8 135.38 35.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.308 0.575 . . . . 1.55 111.047 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.76 ' HH ' ' HD1' ' A' ' 78' ' ' HIS . 37.0 m-85 -113.64 147.78 37.47 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.35 -0.841 . . . . 1.33 111.099 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -72.99 -38.38 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.624 -1.171 . . . . 4.43 111.108 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.857 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 3.9 mp -102.73 146.62 27.96 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.9 0.381 . . . . 2.44 110.208 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.61 HD13 ' CD2' ' A' ' 60' ' ' TYR . 5.1 mm -71.28 -39.2 72.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.929 -0.578 . . . . 1.97 109.652 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 15.4 m -70.9 -26.78 63.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.36 0.6 . . . . 2.05 110.066 176.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.857 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -61.14 -54.96 37.91 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.699 -0.682 . . . . 1.62 110.784 173.566 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.6 tp -68.94 -27.77 66.04 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.415 -0.811 . . . . 1.73 109.765 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.6 t-20 -64.83 -37.78 88.78 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.12 -0.945 . . . . 1.34 109.646 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.469 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.7 mm? -81.51 -19.94 41.14 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.601 -0.727 . . . . 1.24 110.571 177.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.76 ' HD1' ' HH ' ' A' ' 69' ' ' TYR . 66.0 t60 -71.03 -41.4 70.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.759 -0.655 . . . . 0.84 109.711 171.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.55 ' HD3' ' CD2' ' A' ' 96' ' ' LEU . 13.7 ptpt -80.37 -24.17 39.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.171 -0.468 . . . . 2.49 109.93 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.711 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.2 ttmt -69.14 -37.12 78.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 1.47 109.664 168.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.43 ' HD3' ' C ' ' A' ' 81' ' ' ARG . 3.6 tmt_? -58.26 -49.95 75.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 4.53 111.738 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -63.41 -36.7 84.61 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.073 0.397 . . . . 1.17 112.073 -175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.3 m -88.56 -3.86 58.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.816 0.341 . . . . 2.01 110.955 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 91.11 -51.13 3.12 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 110.719 -0.952 . . . . 0.77 110.719 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.711 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 3.6 pt-20 . . . . . 0 N--CA 1.434 -1.263 0 N-CA-C 107.37 -1.345 . . . . 2.0 107.37 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.55 ' HD3' ' OE1' ' A' ' 85' ' ' GLU . 10.1 mmm180 . . . . . 0 N--CA 1.443 -0.792 0 CA-C-O 121.52 0.676 . . . . 2.74 110.996 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.552 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.5 m-85 -93.83 153.6 18.19 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.122 -0.944 . . . . 1.36 110.006 176.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 32.5 ptt180 -123.91 152.4 42.46 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 108.572 -0.899 . . . . 3.96 108.572 167.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.5 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 3.0 t -63.43 114.6 3.97 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.386 -1.339 . . . . 0.91 107.386 171.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.95 6.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.123 0.416 . . . . 1.6 112.123 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 90' ' ' CYS . 5.4 p30 -120.37 -32.99 3.98 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.625 -0.43 . . . . 2.13 111.97 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.936 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 7.8 p -129.06 -8.72 4.85 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 119.404 -0.918 . . . . 1.22 111.031 -174.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.47 35.7 40.97 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.423 -0.808 . . . . 1.06 113.52 169.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.936 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 73.7 mttt -89.34 130.72 35.67 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.774 -0.454 . . . . 2.42 109.774 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.552 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.5 mm? -91.51 120.61 32.47 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.145 0.497 . . . . 1.4 111.442 -172.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.551 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 82.0 m-85 -118.8 133.08 56.09 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.283 -0.871 . . . . 0.68 109.389 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.505 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 27.8 p -78.76 -9.5 59.46 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.547 -0.751 . . . . 1.23 109.978 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.457 ' HB ' ' ND2' ' A' ' 102' ' ' ASN . 48.0 m -127.36 129.64 47.97 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.709 -1.132 . . . . 1.34 109.604 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 52.2 p -68.06 -27.63 66.68 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.132 -0.485 . . . . 0.98 111.214 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.528 ' HA2' ' HB3' ' A' ' 104' ' ' LYS . . . -75.51 -39.15 36.07 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.757 -0.735 . . . . 0.76 112.514 174.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' HB ' ' A' ' 99' ' ' THR . 95.0 m-20 -60.17 -41.26 92.48 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 108.29 -1.004 . . . . 1.88 108.29 172.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.551 ' HB2' ' HB2' ' A' ' 97' ' ' PHE . 16.3 tp -63.15 -55.89 21.39 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 113.859 -1.519 . . . . 1.13 109.508 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.555 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 27.7 ttmt -43.97 -53.15 6.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.322 -1.308 . . . . 2.76 112.728 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.569 ' O ' HG11 ' A' ' 109' ' ' VAL . 38.3 ptt180 -62.17 -31.8 72.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.168 -0.613 . . . . 5.05 110.533 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.668 ' O ' HG21 ' A' ' 109' ' ' VAL . 73.3 t60 -76.92 -17.82 58.68 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.164 0.507 . . . . 1.07 110.917 174.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.555 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.7 mm-40 -84.3 -25.47 29.27 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.089 -1.448 . . . . 1.53 107.089 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -81.7 -15.28 54.94 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 113.177 -1.828 . . . . 1.43 110.93 -177.107 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 106' ' ' HIS . 7.0 m -83.99 -20.45 8.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 C-N-CA 119.661 -0.816 . . . . 1.58 109.372 176.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.446 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 43.9 m-70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.693 . . . . 1.32 110.523 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo . . . . . 0 N--CA 1.454 -0.843 0 CA-C-O 121.879 0.7 . . . . 2.31 112.651 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.457 ' HB3' HD23 ' A' ' 75' ' ' LEU . 22.1 m-85 -106.29 102.03 11.46 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 114.176 -1.374 . . . . 2.62 107.987 170.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.676 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -113.53 150.74 18.49 Favored Glycine 0 N--CA 1.431 -1.695 0 C-N-CA 119.439 -1.362 . . . . 1.42 114.15 -168.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 2.5 t -73.23 99.9 2.97 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 113.718 -1.241 . . . . 1.27 108.067 171.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.47 -5.43 23.89 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.945 0.879 . . . . 3.94 109.683 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.4 tt0 -76.21 -43.86 40.38 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.194 -1.366 . . . . 2.13 110.806 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.2 p -123.84 -19.41 5.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.457 0.646 . . . . 1.38 110.037 -173.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.41 31.61 8.26 Favored Glycine 0 N--CA 1.433 -1.511 0 CA-C-N 115.196 -0.911 . . . . 1.42 114.065 170.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -111.01 121.38 45.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.795 0.298 . . . . 2.91 110.272 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.676 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -93.28 139.08 31.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.164 0.507 . . . . 1.55 111.683 -178.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.528 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 48.2 m-85 -115.97 168.32 10.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.61 -0.723 . . . . 1.33 110.546 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -87.75 -41.82 13.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.506 -0.316 . . . . 4.43 110.946 -177.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.521 HD23 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -106.61 159.63 16.05 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.134 -0.227 . . . . 2.44 110.698 -176.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 25.0 mm -65.39 -48.07 84.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.617 -0.265 . . . . 1.97 110.402 175.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 8.5 t -65.51 -28.43 69.18 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-O 120.976 0.417 . . . . 2.05 110.513 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 1.5 mt -57.07 -57.42 12.63 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.999 0.904 . . . . 1.62 111.024 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.457 HD23 ' HB3' ' A' ' 60' ' ' TYR . 9.9 tp -69.71 -25.99 64.13 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 113.915 -1.493 . . . . 1.73 109.805 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.6 t-20 -70.62 -35.73 73.1 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.284 -1.326 . . . . 1.34 109.243 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.526 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.1 mm? -79.98 -23.78 41.37 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.607 -0.724 . . . . 1.24 110.22 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -69.26 -41.3 77.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.452 -0.794 . . . . 0.84 109.243 170.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -71.23 -39.88 71.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.307 -0.861 . . . . 2.49 108.818 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.998 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 28.6 ttmt -58.54 -40.87 84.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.787 -1.097 . . . . 1.47 110.182 172.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -58.07 -45.38 87.21 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.485 -0.325 . . . . 4.53 111.467 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -65.22 -35.95 82.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.389 -0.369 . . . . 1.17 111.285 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.7 m -101.05 17.32 22.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.523 -0.308 . . . . 2.01 111.526 -173.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.67 -62.87 3.49 Favored Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 111.195 -0.762 . . . . 0.77 111.195 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.998 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 8.3 pt-20 . . . . . 0 N--CA 1.446 -0.636 0 N-CA-C 109.089 -0.708 . . . . 2.0 109.089 174.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.634 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.5 mmm180 . . . . . 0 N--CA 1.441 -0.909 0 CA-C-O 121.547 0.689 . . . . 2.74 111.682 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.661 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.0 m-85 -93.72 154.03 18.02 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.745 -1.116 . . . . 1.36 110.651 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.595 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.7 mtt180 -111.76 153.86 25.89 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 108.831 -0.803 . . . . 3.96 108.831 167.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.711 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 2.4 t -67.47 111.38 4.07 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 106.199 -1.778 . . . . 0.91 106.199 164.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.3 1.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.138 0.421 . . . . 1.6 112.138 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.9 p30 -114.74 -33.17 5.58 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.695 -0.229 . . . . 2.13 111.595 -177.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.882 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.5 p -130.73 -16.48 3.33 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 119.178 -1.009 . . . . 1.22 111.549 -174.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 88.42 27.1 26.02 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 116.511 -0.313 . . . . 1.06 112.856 169.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.882 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 68.3 mttt -81.66 138.64 35.26 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.209 -0.293 . . . . 2.42 110.209 175.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.661 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.6 mm? -94.31 122.71 37.14 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.386 0.612 . . . . 1.4 111.445 -173.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.557 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 82.1 m-85 -121.44 135.92 55.01 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.41 -0.814 . . . . 0.68 110.013 176.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.634 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 46.6 p -80.83 -6.42 58.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.515 -0.766 . . . . 1.23 110.608 -176.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 101' ' ' GLY . 3.6 m -138.54 129.77 27.16 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 114.871 -1.059 . . . . 1.34 109.336 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.607 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 13.7 p -66.04 -25.46 67.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 0.98 111.385 -177.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.412 ' N ' HG22 ' A' ' 99' ' ' THR . . . -71.29 -43.61 54.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.76 112.455 175.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -61.71 -38.91 89.62 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 108.745 -0.835 . . . . 1.88 108.745 172.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.554 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 16.8 tp -61.13 -49.64 76.46 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-N 114.162 -1.381 . . . . 1.13 108.919 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.563 ' O ' HD13 ' A' ' 108' ' ' LEU . 27.1 ttpp -51.63 -46.78 63.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.067 -1.424 . . . . 2.76 111.804 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.413 ' O ' HG13 ' A' ' 109' ' ' VAL . 40.9 mmt180 -54.2 -45.51 72.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.754 0.787 . . . . 5.05 109.924 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.711 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 43.1 t60 -74.16 -16.1 61.0 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.558 -1.201 . . . . 1.07 111.239 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 4.9 mm-40 -83.25 -29.74 28.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.52 -1.289 . . . . 1.53 107.52 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -77.59 -18.15 57.13 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 113.406 -1.724 . . . . 1.43 110.787 -176.602 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.4 m -78.48 -22.62 13.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 C-N-CA 119.557 -0.857 . . . . 1.58 109.497 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.472 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 66.9 m-70 . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 115.813 -0.63 . . . . 1.32 110.685 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo . . . . . 0 N--CA 1.452 -0.918 0 CA-C-O 121.621 0.592 . . . . 2.31 111.353 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.47 ' CE2' HG12 ' A' ' 72' ' ' ILE . 41.0 m-85 -121.35 85.61 2.43 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.906 -1.146 . . . . 2.62 107.906 174.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.999 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -105.24 144.95 15.84 Favored Glycine 0 N--CA 1.427 -1.957 0 C-N-CA 120.097 -1.049 . . . . 1.42 113.031 -170.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.556 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -71.72 99.15 2.07 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 108.202 -1.036 . . . . 1.27 108.202 173.501 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -66.17 -3.75 6.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.205 0.526 . . . . 3.94 111.648 -176.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.03 -39.73 15.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.689 -0.687 . . . . 2.13 111.629 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -119.72 -6.28 10.15 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.879 0.847 . . . . 1.38 109.268 -172.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.39 25.94 67.01 Favored Glycine 0 N--CA 1.429 -1.804 0 CA-C-N 114.283 -1.326 . . . . 1.42 113.579 171.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HZ1' ' HB3' ' A' ' 67' ' ' LYS . 8.6 mtpm? -104.42 109.67 21.63 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.694 -0.484 . . . . 2.91 109.694 175.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.999 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -89.95 142.61 27.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.943 0.401 . . . . 1.55 110.327 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.552 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 41.4 m-85 -120.7 152.53 38.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.412 0.625 . . . . 1.33 111.251 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 7.5 ttp180 -72.99 -39.93 65.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.628 -1.169 . . . . 4.43 111.022 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.724 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 5.3 mp -106.14 152.55 23.29 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.965 -0.561 . . . . 2.44 111.386 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.592 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.0 mm -66.67 -41.07 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.805 -0.634 . . . . 1.97 109.445 172.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.522 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 13.5 p -68.57 -29.06 67.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.401 0.619 . . . . 2.05 110.833 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.724 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.7 mt -62.34 -54.57 38.59 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 121.596 0.712 . . . . 1.62 111.323 174.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.0 tp -69.52 -25.21 63.92 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.819 -1.082 . . . . 1.73 109.344 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.592 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -63.11 -43.86 97.25 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.275 -1.329 . . . . 1.34 109.585 177.408 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 3.8 mm? -77.95 -22.07 50.08 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.491 -0.777 . . . . 1.24 110.568 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.77 -37.82 73.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.006 -0.739 . . . . 0.84 109.006 170.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HE3' HD23 ' A' ' 96' ' ' LEU . 14.6 tppt? -69.14 -37.03 78.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.847 -0.797 . . . . 2.49 108.847 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 1.063 ' HG2' ' HA ' ' A' ' 85' ' ' GLU . 73.6 mttt -62.58 -31.42 72.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.783 -1.099 . . . . 1.47 110.776 173.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -62.82 -41.04 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.894 -0.593 . . . . 4.53 110.86 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -82.59 -51.72 7.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.55 -0.295 . . . . 1.17 111.735 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -113.07 30.8 6.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.487 0.551 . . . . 2.01 112.487 -167.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.71 -58.33 4.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.852 -0.689 . . . . 0.77 112.659 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 1.063 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 7.9 pt-20 . . . . . 0 N--CA 1.445 -0.701 0 CA-C-O 121.226 0.536 . . . . 2.0 110.273 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.504 ' HG2' ' HG3' ' A' ' 85' ' ' GLU . 26.3 mmm180 . . . . . 0 N--CA 1.443 -0.789 0 CA-C-O 121.52 0.676 . . . . 2.74 111.719 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.706 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 21.4 m-85 -88.3 146.06 25.51 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.931 -1.031 . . . . 1.36 110.326 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.659 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 37.4 mtt85 -105.47 153.62 21.46 Favored 'General case' 0 CA--C 1.492 -1.288 0 N-CA-C 108.598 -0.89 . . . . 3.96 108.598 169.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.612 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 7.6 t -71.63 108.27 4.9 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 106.064 -1.828 . . . . 0.91 106.064 164.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.98 14.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.37 0.507 . . . . 1.6 112.37 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 90' ' ' CYS . 2.1 p30 -120.24 -38.03 2.98 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.493 -0.321 . . . . 2.13 111.372 173.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.716 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 11.4 p -130.27 -8.34 4.26 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 119.629 -0.828 . . . . 1.22 111.677 -173.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.65 39.09 35.54 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.814 -0.63 . . . . 1.06 114.106 170.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.716 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 28.7 mtpt -81.99 144.83 30.61 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.472 -0.936 . . . . 2.42 108.472 169.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.706 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.9 mm? -104.52 106.01 16.34 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.445 -0.502 . . . . 1.4 110.99 -174.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.53 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 80.2 m-85 -103.26 135.73 44.35 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.557 -0.747 . . . . 0.68 109.742 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.9 p -80.22 -11.66 59.71 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.228 -0.896 . . . . 1.23 110.022 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.7 m -121.88 128.03 51.14 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.863 -1.062 . . . . 1.34 109.44 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.583 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 13.3 p -67.22 -33.78 76.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.223 -0.444 . . . . 0.98 110.313 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.42 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -66.71 -42.95 92.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.906 -0.664 . . . . 0.76 112.303 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.69 -36.09 82.72 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 108.656 -0.868 . . . . 1.88 108.656 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 88' ' ' TYR . 11.2 tp -65.18 -51.11 63.07 Favored 'General case' 0 N--CA 1.422 -1.871 0 CA-C-N 114.01 -1.45 . . . . 1.13 109.225 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.563 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 26.6 mtpp -54.64 -42.54 71.37 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.262 -1.336 . . . . 2.76 111.688 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.5 ' O ' HG12 ' A' ' 109' ' ' VAL . 41.5 mmt180 -55.33 -45.42 76.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.889 0.376 . . . . 5.05 109.996 175.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.682 ' O ' HG21 ' A' ' 109' ' ' VAL . 77.0 t60 -72.34 -17.56 61.83 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.898 -0.592 . . . . 1.07 111.808 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.582 ' NE2' ' HA ' ' A' ' 90' ' ' CYS . 8.0 mm-40 -79.4 -29.21 41.92 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.119 -1.437 . . . . 1.53 107.119 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -78.24 -33.06 49.99 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-N 113.274 -1.785 . . . . 1.43 110.001 -177.125 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.682 HG21 ' O ' ' A' ' 106' ' ' HIS . 4.4 m -64.44 -21.5 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 C-N-CA 120.291 -0.564 . . . . 1.58 109.691 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 34.6 m-70 . . . . . 0 CA--C 1.531 0.249 0 CA-C-N 115.846 -0.616 . . . . 1.32 112.107 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 N--CA 1.457 -0.635 0 CA-C-O 121.942 0.726 . . . . 2.31 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' A' ' 72' ' ' ILE . 61.7 m-85 -102.43 101.06 11.24 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 113.728 -1.578 . . . . 2.62 108.803 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.622 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -102.92 145.59 16.36 Favored Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 119.755 -1.212 . . . . 1.42 113.212 -173.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.525 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -61.02 154.94 21.36 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.068 -1.066 . . . . 1.27 112.157 -175.403 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -74.45 -37.3 63.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.559 -1.201 . . . . 3.94 111.023 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.477 ' OE1' ' SG ' ' A' ' 62' ' ' CYS . 1.5 pm0 -100.75 -40.74 7.19 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.588 0.588 . . . . 2.13 112.588 -167.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.454 ' SG ' ' NE2' ' A' ' 78' ' ' HIS . 14.2 p -109.3 -14.65 14.42 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.401 1.096 . . . . 1.38 108.241 -171.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 60.55 34.19 84.83 Favored Glycine 0 N--CA 1.432 -1.591 0 CA-C-N 113.033 -1.894 . . . . 1.42 114.588 171.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 61' ' ' GLY . 96.3 mttt -86.5 128.74 34.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.235 -0.654 . . . . 2.91 109.235 173.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.622 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.06 131.1 34.79 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.926 0.87 . . . . 1.55 112.26 -176.47 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.662 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 39.5 m-85 -122.86 129.72 51.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.428 -1.26 . . . . 1.33 109.867 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -74.55 -18.07 60.64 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.289 -0.564 . . . . 4.43 112.233 -174.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.534 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -105.2 150.45 25.08 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.356 -0.538 . . . . 2.44 110.404 170.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.537 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.0 mm -69.49 -42.44 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 1.97 109.649 175.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.2 m -61.11 -38.98 88.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 2.05 110.525 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.662 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 3.8 mt -51.12 -57.05 9.72 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.443 -0.798 . . . . 1.62 111.824 173.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 16.3 tp -70.4 -26.17 63.57 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 114.443 -1.253 . . . . 1.73 109.848 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -72.57 -39.34 67.5 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.224 -1.353 . . . . 1.34 109.322 -178.621 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.5 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -80.6 -19.58 45.2 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.413 -0.812 . . . . 1.24 110.062 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.454 ' NE2' ' SG ' ' A' ' 65' ' ' CYS . 55.3 t60 -73.72 -41.22 62.85 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.348 -0.842 . . . . 0.84 109.96 172.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 76' ' ' ASN . 16.8 ptpt -78.1 -29.02 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.126 -0.694 . . . . 2.49 109.126 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.923 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 29.8 ttmt -62.41 -38.08 88.28 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.162 -0.926 . . . . 1.47 109.65 169.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 81' ' ' ARG . 17.6 ttt180 -63.6 -34.71 78.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.547 -0.751 . . . . 4.53 111.856 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -65.91 -25.24 67.06 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.8 0.296 . . . . 1.17 111.8 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m -119.06 16.68 13.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.808 0.337 . . . . 2.01 111.066 -176.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.44 -50.15 4.16 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.664 -0.779 . . . . 0.77 111.499 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.923 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.434 -1.243 0 N-CA-C 108.774 -0.824 . . . . 2.0 108.774 173.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.567 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 9.4 mmm180 . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 121.443 0.639 . . . . 2.74 111.613 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.595 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 14.3 m-85 -91.44 159.72 15.82 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.01 -0.996 . . . . 1.36 110.174 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.583 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 27.7 ptt180 -126.75 154.02 44.76 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.991 -0.744 . . . . 3.96 108.991 168.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.485 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 5.5 t -64.03 131.89 48.95 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.12 -1.067 . . . . 0.91 108.12 173.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -75.83 5.73 5.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.934 0.397 . . . . 1.6 111.048 -174.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.466 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.7 p30 -120.56 -42.56 2.53 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.36 -0.382 . . . . 2.13 111.85 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.0 p -126.42 3.67 6.95 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.452 0.644 . . . . 1.22 110.178 -168.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.02 36.69 91.13 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 114.867 -1.061 . . . . 1.06 114.526 171.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 83.9 mttt -81.59 131.86 35.29 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.839 -0.43 . . . . 2.42 109.839 171.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.595 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -91.14 121.9 33.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.208 0.528 . . . . 1.4 110.732 -175.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.553 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 54.1 m-85 -120.0 135.17 55.02 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.399 -0.819 . . . . 0.68 109.915 176.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.548 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 79.3 p -80.12 -11.03 59.79 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.093 -0.958 . . . . 1.23 110.554 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.1 m -128.89 129.01 44.97 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.914 -1.039 . . . . 1.34 109.106 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 5.9 p -68.05 -26.0 65.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.718 -0.673 . . . . 0.98 110.996 -175.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -72.28 -44.77 42.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.121 -0.561 . . . . 0.76 112.531 175.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -59.36 -38.3 80.08 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 108.331 -0.988 . . . . 1.88 108.331 173.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.583 HD23 ' CB ' ' A' ' 88' ' ' TYR . 14.0 tp -63.02 -51.09 68.13 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-N 114.007 -1.451 . . . . 1.13 109.589 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.446 ' O ' HD13 ' A' ' 108' ' ' LEU . 24.2 ttmm -54.53 -46.14 73.5 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 114.23 -1.35 . . . . 2.76 111.305 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.581 ' O ' HG11 ' A' ' 109' ' ' VAL . 46.1 mtt180 -56.42 -41.86 77.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.137 0.494 . . . . 5.05 109.815 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.681 ' O ' HG21 ' A' ' 109' ' ' VAL . 72.0 t60 -72.35 -18.1 61.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.629 -0.714 . . . . 1.07 111.344 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 13.1 mm-40 -82.73 -26.74 31.68 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.657 -1.238 . . . . 1.53 107.657 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.462 HD21 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -80.55 -29.0 37.14 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 113.584 -1.643 . . . . 1.43 110.041 -178.303 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.681 HG21 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -65.29 -21.93 30.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 C-N-CA 119.861 -0.736 . . . . 1.58 109.393 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.544 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 57.3 m-70 . . . . . 0 CA--C 1.534 0.356 0 CA-C-N 115.882 -0.599 . . . . 1.32 112.201 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo . . . . . 0 N--CA 1.454 -0.848 0 CA-C-O 121.618 0.591 . . . . 2.31 112.132 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -122.09 104.43 9.49 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 114.336 -1.302 . . . . 2.62 108.422 174.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.629 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -118.59 155.63 16.0 Favored Glycine 0 N--CA 1.433 -1.54 0 C-N-CA 119.348 -1.406 . . . . 1.42 114.472 -168.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.576 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 53.3 t -76.78 140.57 40.79 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.577 -1.312 . . . . 1.27 109.999 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -90.49 -24.69 20.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.301 0.572 . . . . 3.94 109.819 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -37.8 21.04 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.615 -0.721 . . . . 2.13 111.81 -171.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.498 ' SG ' ' SG ' ' A' ' 62' ' ' CYS . 26.6 p -116.42 -22.85 8.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.746 0.784 . . . . 1.38 109.039 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 88.04 22.81 40.39 Favored Glycine 0 N--CA 1.433 -1.531 0 CA-C-N 114.493 -1.23 . . . . 1.42 113.806 169.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' A' ' 67' ' ' LYS . 25.9 mtpp -91.01 123.35 34.41 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.83 -0.348 . . . . 2.91 110.462 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.629 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -92.0 135.89 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.014 0.435 . . . . 1.55 111.001 178.337 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.601 ' CD2' HD22 ' A' ' 74' ' ' LEU . 50.6 m-85 -117.01 165.0 13.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.811 -0.632 . . . . 1.33 111.012 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -85.82 -40.26 16.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.978 -0.556 . . . . 4.43 111.635 -178.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.517 HD21 HD13 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -105.01 155.39 19.0 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.849 -0.34 . . . . 2.44 110.756 -178.555 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.616 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 17.9 mm -64.56 -43.43 96.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.702 -0.481 . . . . 1.97 109.702 174.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 p -65.02 -34.61 78.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.446 . . . . 2.05 110.866 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.601 HD22 ' CD2' ' A' ' 69' ' ' TYR . 2.5 mt -54.74 -56.65 16.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.67 0.747 . . . . 1.62 111.755 173.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 10.8 tp -71.61 -25.16 62.05 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.67 -1.15 . . . . 1.73 109.553 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.616 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -68.99 -40.65 78.63 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.521 -1.218 . . . . 1.34 108.924 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.573 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 3.2 mm? -80.5 -19.84 44.96 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.159 -0.928 . . . . 1.24 110.254 179.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.439 ' NE2' ' SG ' ' A' ' 65' ' ' CYS . 59.2 t60 -68.11 -44.7 75.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.694 -0.684 . . . . 0.84 109.773 169.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -73.69 -34.29 64.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.313 -0.858 . . . . 2.49 108.876 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 1.054 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 29.0 ttmt -66.85 -38.93 87.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.913 -1.04 . . . . 1.47 110.293 172.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -58.72 -44.31 90.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 4.53 111.66 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -56.06 -49.83 72.67 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.932 0.345 . . . . 1.17 111.932 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -100.7 28.38 5.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.864 0.364 . . . . 2.01 111.033 -175.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.92 -58.74 4.54 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.07 -0.812 . . . . 0.77 111.07 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 1.054 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 11.1 pt-20 . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 121.58 0.705 . . . . 2.0 110.544 173.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 9.7 mmm180 . . . . . 0 N--CA 1.442 -0.849 0 CA-C-O 121.534 0.683 . . . . 2.74 111.16 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.68 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 22.3 m-85 -90.7 151.25 21.32 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.921 -1.036 . . . . 1.36 111.363 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.655 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.4 mtt180 -108.91 155.29 21.01 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.638 -0.875 . . . . 3.96 108.638 169.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.547 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 4.6 t -74.17 125.43 28.36 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 107.577 -1.268 . . . . 0.91 107.577 168.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -63.91 1.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.154 0.427 . . . . 1.6 112.154 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.476 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.1 p30 -119.73 -39.2 2.87 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 112.123 0.416 . . . . 2.13 112.123 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.525 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 12.3 p -130.22 1.24 4.66 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 119.591 -0.844 . . . . 1.22 111.125 -169.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.7 36.32 89.32 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.474 -0.785 . . . . 1.06 113.916 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.525 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 90.0 mttt -80.87 134.21 35.72 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.569 -0.53 . . . . 2.42 109.569 170.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.68 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.7 mm? -93.86 119.51 32.89 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.111 0.481 . . . . 1.4 111.094 -173.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.535 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 62.3 m-85 -119.62 138.48 53.21 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.493 -0.776 . . . . 0.68 110.432 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.503 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 81.8 p -82.3 -10.41 59.11 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.892 -1.049 . . . . 1.23 110.304 -177.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.406 ' HB ' ' ND2' ' A' ' 102' ' ' ASN . 55.3 m -127.73 128.75 45.92 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.61 -1.177 . . . . 1.34 109.317 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 22.5 p -69.27 -27.38 65.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.314 -0.403 . . . . 0.98 110.922 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.05 -34.92 32.07 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.436 -0.888 . . . . 0.76 112.345 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.406 ' ND2' ' HB ' ' A' ' 99' ' ' THR . 91.2 m-20 -63.11 -40.5 97.81 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 107.786 -1.19 . . . . 1.88 107.786 171.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.559 HD22 ' CB ' ' A' ' 88' ' ' TYR . 14.9 tp -59.98 -57.79 11.32 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 113.57 -1.65 . . . . 1.13 109.266 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.766 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 18.1 ttmm -45.21 -48.08 12.61 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.409 -1.269 . . . . 2.76 112.266 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.558 ' O ' HG12 ' A' ' 109' ' ' VAL . 23.6 mmm180 -53.94 -45.4 71.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 5.05 110.442 175.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.617 ' O ' HG23 ' A' ' 109' ' ' VAL . 80.5 t60 -72.78 -17.46 61.58 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.901 -0.59 . . . . 1.07 111.58 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.766 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.6 mt-30 -84.52 -27.06 27.64 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 107.055 -1.461 . . . . 1.53 107.055 -176.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -74.45 -39.37 62.59 Favored 'General case' 0 CA--C 1.487 -1.467 0 CA-C-N 113.407 -1.724 . . . . 1.43 109.434 -178.372 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 106' ' ' HIS . 4.0 m -62.03 -16.45 15.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-O 121.007 0.432 . . . . 1.58 110.504 -174.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.494 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 51.3 m-70 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 112.69 0.626 . . . . 1.32 112.69 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.847 -0.427 . . . . 4.54 109.847 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.35 117.88 4.67 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.939 2.426 . . . . 2.31 111.679 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' A' ' 72' ' ' ILE . 26.5 m-85 -106.88 101.56 10.98 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.135 -1.393 . . . . 2.62 109.214 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.601 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -112.41 153.7 17.28 Favored Glycine 0 N--CA 1.432 -1.627 0 C-N-CA 120.009 -1.091 . . . . 1.42 113.53 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.507 ' SG ' ' HE2' ' A' ' 79' ' ' LYS . 12.3 t -70.1 114.1 7.93 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.19 -1.005 . . . . 1.27 110.648 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.41 -18.87 31.45 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.942 0.877 . . . . 3.94 110.89 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.0 OUTLIER -87.38 -45.04 10.91 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.787 -1.097 . . . . 2.13 112.658 -171.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.2 p -124.55 -19.99 5.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.364 0.602 . . . . 1.38 110.665 -171.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.98 10.12 Favored Glycine 0 N--CA 1.435 -1.432 0 CA-C-N 115.23 -0.895 . . . . 1.42 114.415 168.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.39 124.57 48.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.137 0.469 . . . . 2.91 110.202 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.601 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.38 140.25 29.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.96 0.409 . . . . 1.55 111.472 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.904 ' HH ' ' HD1' ' A' ' 78' ' ' HIS . 37.8 m-85 -119.16 161.11 20.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.493 -0.776 . . . . 1.33 111.306 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.427 ' C ' HD13 ' A' ' 71' ' ' LEU . 33.0 mmt180 -74.01 -43.03 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.95 -0.568 . . . . 4.43 111.537 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.542 HD22 HD13 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -112.41 163.22 14.69 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.013 -0.275 . . . . 2.44 111.181 -177.15 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.521 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.4 mm -68.05 -43.67 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 1.97 109.681 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -63.45 -35.56 80.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.889 -0.596 . . . . 2.05 110.514 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.544 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 2.2 mt -55.66 -55.69 29.12 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.584 0.707 . . . . 1.62 111.464 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 13.5 tp -69.55 -25.19 63.89 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.61 -1.177 . . . . 1.73 109.845 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -71.09 -36.99 72.43 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.55 -1.204 . . . . 1.34 109.223 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.403 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -79.39 -25.51 42.11 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.432 -0.804 . . . . 1.24 110.32 177.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.904 ' HD1' ' HH ' ' A' ' 69' ' ' TYR . 36.3 t60 -66.78 -42.13 86.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.63 -0.713 . . . . 0.84 109.283 170.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HE2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -71.54 -35.86 70.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.801 -0.814 . . . . 2.49 108.801 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.769 ' HE2' ' H ' ' A' ' 86' ' ' ALA . 33.9 ttmt -62.36 -40.9 97.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.973 -1.012 . . . . 1.47 110.436 172.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -58.84 -39.02 80.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 4.53 111.991 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -67.61 -30.51 70.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.422 -0.354 . . . . 1.17 111.919 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 p -107.24 11.79 28.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.769 0.319 . . . . 2.01 111.213 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.21 -60.73 4.81 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.084 -0.806 . . . . 0.77 111.084 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.606 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -136.72 164.73 27.57 Favored 'General case' 0 N--CA 1.418 -2.062 0 N-CA-C 107.783 -1.191 . . . . 2.0 107.783 178.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.769 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -126.47 105.5 8.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.006 0.431 . . . . 1.27 110.001 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -95.99 -81.67 0.4 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.656 0.741 . . . . 2.74 111.45 -174.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.607 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 25.9 m-85 -87.17 156.51 19.66 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.792 -1.094 . . . . 1.36 109.605 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 16.1 ptt180 -126.07 153.6 44.24 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 108.611 -0.885 . . . . 3.96 108.611 166.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.586 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 2.1 t -64.77 120.58 12.74 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.123 -1.436 . . . . 0.91 107.123 170.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -70.23 7.45 1.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.099 0.476 . . . . 1.6 111.578 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.2 p30 -120.72 -42.93 2.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.814 -0.63 . . . . 2.13 111.697 -177.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.858 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 14.0 p -120.37 -13.09 8.89 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 119.906 -0.718 . . . . 1.22 110.036 -172.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.97 33.97 31.7 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.769 -1.105 . . . . 1.06 113.203 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.858 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 38.2 mttp -84.71 131.98 34.51 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 110.161 -0.311 . . . . 2.42 110.161 174.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.607 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -91.46 126.62 36.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.291 0.567 . . . . 1.4 110.683 -175.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.468 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 72.0 m-85 -124.42 141.83 51.77 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.294 -0.867 . . . . 0.68 109.906 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.4 p -86.95 -13.14 45.51 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.315 -0.857 . . . . 1.23 109.807 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 101' ' ' GLY . 94.5 m -118.86 127.64 53.69 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 114.609 -1.178 . . . . 1.34 109.009 177.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 24.7 p -72.37 -23.55 61.14 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.267 -0.424 . . . . 0.98 109.982 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.512 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -74.42 -44.0 29.0 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.952 -0.567 . . . . 0.76 112.51 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.3 -38.17 79.55 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.14 -1.059 . . . . 1.88 108.14 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.541 HD23 ' CB ' ' A' ' 88' ' ' TYR . 16.4 tp -64.92 -52.48 56.19 Favored 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 113.705 -1.589 . . . . 1.13 109.209 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.639 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 23.3 ttmm -51.19 -50.13 59.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.433 -1.258 . . . . 2.76 112.404 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 43.4 mtm180 -57.56 -37.37 73.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.478 0.656 . . . . 5.05 109.862 178.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.647 ' O ' HG23 ' A' ' 109' ' ' VAL . 65.3 t60 -76.53 -16.45 59.62 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.945 -1.025 . . . . 1.07 111.319 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.639 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.1 mm-40 -85.88 -27.56 24.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.932 -1.507 . . . . 1.53 106.932 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.588 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -81.61 -13.33 58.1 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 113.43 -1.714 . . . . 1.43 110.897 -175.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 106' ' ' HIS . 10.2 m -81.61 -18.52 11.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 C-N-CA 119.758 -0.777 . . . . 1.58 109.223 174.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.454 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 67.6 m-70 -92.24 -7.64 47.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.678 -0.692 . . . . 1.32 110.554 175.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.9 m -153.85 46.66 0.62 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.728 0.775 . . . . 2.37 109.567 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.588 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 N--CA 1.441 -1.011 0 CA-C-N 114.945 -1.025 . . . . 2.49 111.264 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 14.1 mmtt . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.908 0.385 . . . . 4.54 111.047 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 5.2 Cg_endo -89.53 118.06 0.79 Allowed 'Trans proline' 0 N--CA 1.442 -1.514 0 C-N-CA 123.617 2.878 . . . . 2.31 111.031 173.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -112.25 94.8 5.11 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.754 -1.112 . . . . 2.62 108.278 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.722 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -103.82 145.31 16.1 Favored Glycine 0 N--CA 1.429 -1.823 0 C-N-CA 119.791 -1.195 . . . . 1.42 113.641 -172.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 6.0 t -61.85 118.37 7.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.47 -1.365 . . . . 1.27 109.84 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -68.71 -14.16 62.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.4 0.619 . . . . 3.94 111.078 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.17 -38.2 10.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.216 -0.902 . . . . 2.13 113.077 -172.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 30.3 p -119.04 -23.17 6.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.672 0.749 . . . . 1.38 109.812 -175.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.23 17.13 47.89 Favored Glycine 0 N--CA 1.432 -1.583 0 CA-C-N 114.724 -1.126 . . . . 1.42 114.15 173.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -88.69 122.5 32.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.069 0.434 . . . . 2.91 110.729 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.722 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.27 138.93 31.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 1.55 111.83 -178.693 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.517 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 43.7 m-85 -123.51 160.81 26.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.763 -0.653 . . . . 1.33 110.889 174.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -79.74 -41.41 26.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.437 -0.347 . . . . 4.43 111.69 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.533 HD23 HD13 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -107.39 156.51 18.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.742 0.306 . . . . 2.44 110.643 -177.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.59 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 22.0 mm -67.21 -42.22 87.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.551 -0.537 . . . . 1.97 109.551 174.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 p -61.28 -37.58 83.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.22 0.533 . . . . 2.05 110.98 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.533 HD13 HD23 ' A' ' 71' ' ' LEU . 2.2 mt -54.1 -57.2 12.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.81 0.814 . . . . 1.62 111.673 173.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.502 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.5 tp -71.96 -22.29 61.47 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 114.491 -1.232 . . . . 1.73 109.653 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.2 t-20 -69.45 -38.37 77.75 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.527 -1.215 . . . . 1.34 109.29 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -79.44 -23.22 43.27 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.494 -0.775 . . . . 1.24 110.078 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -70.41 -40.96 73.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.248 -0.887 . . . . 0.84 109.333 171.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.74 -41.55 71.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.251 -0.886 . . . . 2.49 108.848 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.884 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.9 ttmt -58.86 -36.44 74.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.989 -1.005 . . . . 1.47 110.431 173.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.458 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 17.1 tpt180 -64.17 -36.82 85.3 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.643 -0.423 . . . . 4.53 111.681 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -74.39 -45.11 48.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.397 . . . . 1.17 111.311 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 m -84.44 6.48 23.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.459 -0.337 . . . . 2.01 111.495 -176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.72 -55.51 4.85 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.649 -0.981 . . . . 0.77 110.649 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.884 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.4 pm0 -143.3 -175.38 4.52 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 109.194 -0.669 . . . . 2.0 109.194 171.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.573 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -139.09 101.15 4.2 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.911 -0.774 . . . . 1.27 108.911 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.746 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 17.5 mmm180 -100.77 -74.88 0.6 Allowed 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.356 -0.838 . . . . 2.74 111.369 -168.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.692 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 23.9 m-85 -95.58 155.44 16.74 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.621 -1.172 . . . . 1.36 109.635 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.694 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 35.2 ptt180 -125.58 152.41 45.13 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.811 -0.811 . . . . 3.96 108.811 167.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.484 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 9.3 t -63.48 130.07 42.87 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.507 -0.923 . . . . 0.91 108.507 175.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -62.79 -9.3 8.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.482 0.488 . . . . 1.6 111.84 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.484 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.5 p30 -120.37 -35.24 3.46 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 112.671 0.619 . . . . 2.13 112.671 -172.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.574 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 9.3 p -128.03 1.2 5.9 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 119.33 -0.948 . . . . 1.22 110.717 -171.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.17 39.21 96.92 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 114.952 -1.022 . . . . 1.06 114.678 170.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.694 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 25.7 mtpp -83.89 132.56 34.78 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 117.16 0.48 . . . . 2.42 109.727 171.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.692 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.3 mm? -90.22 111.3 22.43 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.272 0.558 . . . . 1.4 110.901 -177.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.533 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 82.6 m-85 -109.16 140.42 42.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.644 -0.707 . . . . 0.68 109.263 175.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.448 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 52.3 p -87.94 -6.4 58.05 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.552 0.691 . . . . 1.23 110.17 -178.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.7 m -127.7 128.75 45.96 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.875 -1.057 . . . . 1.34 109.219 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.638 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 26.6 p -69.48 -29.4 67.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.01 -0.541 . . . . 0.98 111.269 -175.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 104' ' ' LYS . . . -77.7 -33.87 41.04 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.296 -0.954 . . . . 0.76 112.357 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.62 -39.3 91.35 Favored 'General case' 0 CA--C 1.492 -1.257 0 N-CA-C 107.767 -1.198 . . . . 1.88 107.767 172.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.59 HD21 ' CB ' ' A' ' 88' ' ' TYR . 13.5 tp -61.06 -58.45 8.37 Favored 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 113.719 -1.582 . . . . 1.13 109.209 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.691 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 3.8 mptp? -40.1 -54.36 2.29 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 124.748 1.28 . . . . 2.76 111.798 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.608 ' O ' HG13 ' A' ' 109' ' ' VAL . 23.2 mmm180 -49.21 -48.8 45.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.218 0.532 . . . . 5.05 110.41 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.603 ' O ' HG23 ' A' ' 109' ' ' VAL . 81.9 t60 -71.25 -17.46 62.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.495 -0.775 . . . . 1.07 112.056 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.691 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 5.6 mt-30 -84.67 -30.4 24.88 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.789 -1.559 . . . . 1.53 106.789 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -73.42 -37.07 66.02 Favored 'General case' 0 C--O 1.201 -1.479 0 CA-C-N 113.085 -1.87 . . . . 1.43 109.406 -176.61 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 105' ' ' ARG . 4.8 m -62.59 -17.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-O 121.151 0.5 . . . . 1.58 110.393 -175.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.477 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 48.0 m-70 -79.63 9.55 4.91 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.858 0.688 . . . . 1.32 112.858 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -168.73 -38.49 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.191 0.996 . . . . 2.37 110.0 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.306 -1.125 0 CA-C-N 113.55 -1.659 . . . . 2.49 111.999 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.2 pttp . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.927 0.394 . . . . 4.54 110.744 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.46 124.87 12.57 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.384 2.723 . . . . 2.31 112.738 -175.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -101.37 97.97 8.39 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 113.651 -1.613 . . . . 2.62 108.854 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.624 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -110.14 148.25 17.41 Favored Glycine 0 N--CA 1.431 -1.652 0 C-N-CA 119.835 -1.174 . . . . 1.42 113.735 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.49 ' SG ' ' HE2' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -70.91 125.35 26.62 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 113.916 -1.142 . . . . 1.27 110.212 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.846 0.831 . . . . 3.94 110.712 -177.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' SG ' ' A' ' 62' ' ' CYS . 0.3 OUTLIER -85.28 -40.4 16.63 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.769 -1.105 . . . . 2.13 112.503 -170.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.71 -0.26 8.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.811 0.815 . . . . 1.38 109.734 -169.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.14 37.4 92.81 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.201 -1.363 . . . . 1.42 114.745 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -109.6 127.85 54.81 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.603 -0.517 . . . . 2.91 109.603 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.624 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -95.92 139.6 31.88 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.394 0.616 . . . . 1.55 111.692 -176.496 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.634 ' CD2' HD21 ' A' ' 74' ' ' LEU . 49.7 m-85 -121.04 148.11 44.59 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.197 -0.911 . . . . 1.33 110.753 174.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -75.26 -33.95 61.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.069 -0.969 . . . . 4.43 111.195 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 4.7 mp -107.77 146.36 32.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 2.44 111.063 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.1 mm -62.5 -45.33 99.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.61 -0.723 . . . . 1.97 110.68 175.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 32.5 t -69.77 -24.32 63.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.957 0.408 . . . . 2.05 110.263 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.1 mt -64.86 -52.91 54.06 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 121.311 0.576 . . . . 1.62 110.903 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 11.4 tp -68.86 -29.4 67.7 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.041 -0.982 . . . . 1.73 109.587 177.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -65.51 -39.97 92.46 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.582 -1.19 . . . . 1.34 109.689 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.65 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 1.4 mm? -77.67 -26.17 50.1 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.302 -0.863 . . . . 1.24 110.415 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -65.25 -41.6 94.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.525 -0.546 . . . . 0.84 109.525 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.751 ' HG2' HD22 ' A' ' 96' ' ' LEU . 2.2 tppp? -69.77 -32.99 71.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.703 -0.851 . . . . 2.49 108.703 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.54 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . 33.6 ttmt -69.91 -33.56 72.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.18 -0.918 . . . . 1.47 110.634 175.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 36.3 mmt180 -60.16 -39.29 85.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.717 0.294 . . . . 4.53 111.636 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.09 -39.38 82.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.403 0.52 . . . . 1.17 112.403 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m -108.39 14.74 24.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.691 0.282 . . . . 2.01 111.527 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.15 -59.79 4.52 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.951 -0.86 . . . . 0.77 110.951 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.587 ' HG3' ' NE ' ' A' ' 87' ' ' ARG . 2.6 pm0 -123.07 -172.26 2.46 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.011 -1.107 . . . . 2.0 108.011 170.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.54 ' HB1' ' HA ' ' A' ' 80' ' ' LYS . . . -145.52 106.98 4.21 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 109.94 -0.392 . . . . 1.27 109.94 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.587 ' NE ' ' HG3' ' A' ' 85' ' ' GLU . 21.0 mmt180 -101.08 -78.23 0.53 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.292 0.568 . . . . 2.74 111.037 -176.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.732 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.9 m-85 -91.29 153.5 19.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.098 -0.955 . . . . 1.36 111.47 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.573 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 47.7 mtt180 -108.12 153.8 22.62 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.899 -0.778 . . . . 3.96 108.899 169.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.504 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 8.2 t -70.18 117.75 12.13 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.115 -1.809 . . . . 0.91 106.115 163.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.04 -5.25 0.61 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.309 0.485 . . . . 1.6 112.309 -174.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.466 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.4 p30 -115.02 -36.08 4.54 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.599 -0.273 . . . . 2.13 111.622 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.805 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 3.8 p -130.95 3.76 4.43 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 119.481 -0.888 . . . . 1.22 111.21 -171.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.06 39.16 97.23 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.37 -0.832 . . . . 1.06 114.293 168.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.805 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 10.5 mtpp -87.27 135.02 33.47 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.79 -0.819 . . . . 2.42 108.79 172.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.751 HD22 ' HG2' ' A' ' 79' ' ' LYS . 3.9 mm? -94.4 105.24 17.21 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.303 0.573 . . . . 1.4 111.504 -172.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.476 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 93.9 m-85 -100.72 142.88 31.57 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.486 -0.779 . . . . 0.68 110.017 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.483 HG21 ' HG2' ' A' ' 85' ' ' GLU . 71.1 p -93.05 7.09 45.59 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 121.947 0.879 . . . . 1.23 110.379 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.5 m -144.24 129.26 18.54 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.386 -1.279 . . . . 1.34 109.215 175.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.0 p -67.09 -26.89 66.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.812 -0.631 . . . . 0.98 110.695 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.636 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -75.47 -44.01 22.83 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.906 -0.588 . . . . 0.76 112.374 175.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -57.03 -38.96 73.91 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.183 -1.043 . . . . 1.88 108.183 173.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 88' ' ' TYR . 16.6 tp -63.63 -56.57 14.79 Favored 'General case' 0 N--CA 1.417 -2.102 0 CA-C-N 113.48 -1.691 . . . . 1.13 109.727 178.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.809 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 40.2 ttpt -47.66 -49.63 26.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.546 -1.206 . . . . 2.76 112.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 49.0 mtt180 -59.69 -35.9 75.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.053 0.454 . . . . 5.05 110.076 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.705 ' O ' HG22 ' A' ' 109' ' ' VAL . 76.3 t60 -76.81 -17.56 58.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.213 -0.903 . . . . 1.07 111.201 176.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.809 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mt-30 -84.06 -27.29 28.4 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.412 -1.699 . . . . 1.53 106.412 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.657 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -83.49 -9.44 58.98 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 112.895 -1.957 . . . . 1.43 111.242 -176.164 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.705 HG22 ' O ' ' A' ' 106' ' ' HIS . 11.0 m -83.48 -17.61 10.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 C-N-CA 119.596 -0.841 . . . . 1.58 108.807 173.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.436 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 70.3 m-70 -89.86 -12.14 39.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.055 -0.975 . . . . 1.32 110.284 175.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.2 p -143.49 36.57 1.33 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.694 0.759 . . . . 2.37 109.836 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.657 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.675 -1.07 . . . . 2.49 111.673 -170.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HB2' ' HZ3' ' A' ' 58' ' ' LYS . 4.2 ttmp? . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.463 0.173 . . . . 4.54 110.745 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.4 118.9 5.81 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.715 2.276 . . . . 2.31 110.585 170.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.486 ' HB3' HD23 ' A' ' 75' ' ' LEU . 44.9 m-85 -96.15 100.21 11.88 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.541 -1.209 . . . . 2.62 109.521 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.678 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -113.5 144.56 18.18 Favored Glycine 0 N--CA 1.436 -1.347 0 C-N-CA 119.895 -1.145 . . . . 1.42 114.147 -171.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.464 ' SG ' ' HG3' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -61.32 130.92 48.5 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.913 -1.143 . . . . 1.27 110.832 178.716 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -75.63 -16.55 60.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.323 0.582 . . . . 3.94 111.075 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.464 ' HG3' ' SG ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -91.64 -37.54 13.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.754 0.65 . . . . 2.13 112.754 -174.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.5 p -126.86 2.08 6.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.592 0.711 . . . . 1.38 109.69 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.26 38.1 92.79 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.308 -1.314 . . . . 1.42 114.592 171.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -110.15 117.01 32.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.14 -0.319 . . . . 2.91 110.14 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.678 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -86.23 141.96 28.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.504 0.668 . . . . 1.55 111.905 -178.035 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.663 ' HH ' ' HD1' ' A' ' 78' ' ' HIS . 47.5 m-85 -120.54 142.7 49.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.969 -1.014 . . . . 1.33 110.054 173.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -69.91 -17.92 63.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.617 -0.72 . . . . 4.43 112.138 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 24.7 mt -127.84 163.44 24.4 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.523 -0.471 . . . . 2.44 111.398 -177.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.519 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.4 mm -74.17 -51.91 22.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.569 -0.742 . . . . 1.97 110.491 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.485 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 17.7 m -63.5 -26.5 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.415 0.626 . . . . 2.05 110.349 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 4.5 mt -58.48 -58.7 7.36 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.148 -0.933 . . . . 1.62 111.781 172.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 6.1 tp -71.85 -22.27 61.55 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 114.8 -1.091 . . . . 1.73 109.486 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -68.08 -39.76 82.82 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.455 -1.248 . . . . 1.34 108.752 177.747 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.49 HD12 ' HD2' ' A' ' 80' ' ' LYS . 2.3 mm? -80.5 -22.32 41.07 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.205 -0.907 . . . . 1.24 110.374 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.663 ' HD1' ' HH ' ' A' ' 69' ' ' TYR . 59.7 t60 -69.12 -40.9 78.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.257 -0.646 . . . . 0.84 109.257 170.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.681 ' HG2' HD23 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -72.25 -38.29 68.92 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.384 -0.969 . . . . 2.49 108.384 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.818 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 34.4 ttmt -62.98 -29.84 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.767 -1.106 . . . . 1.47 110.19 173.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -66.1 -43.41 87.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.458 -0.337 . . . . 4.53 110.964 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -74.03 -50.32 20.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.701 0.286 . . . . 1.17 111.469 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 m -86.66 11.09 13.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.249 0.463 . . . . 2.01 112.249 -172.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.73 -55.16 5.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.648 -0.787 . . . . 0.77 111.196 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.818 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.7 pm0 -135.4 -179.87 5.9 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 108.828 -0.804 . . . . 2.0 108.828 171.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.486 ' HB2' ' HE3' ' A' ' 80' ' ' LYS . . . -139.46 107.18 5.62 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.12 -0.696 . . . . 1.27 109.12 176.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.732 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 16.0 mmm180 -101.03 -81.57 0.47 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.399 0.619 . . . . 2.74 110.895 -172.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 25.4 m-85 -94.69 152.89 18.11 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.421 -0.808 . . . . 1.36 110.318 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.584 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 11.2 ptt180 -124.26 153.9 40.99 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.466 -0.938 . . . . 3.96 108.466 167.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.503 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 25.3 t -65.56 118.11 9.01 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.443 -1.253 . . . . 0.91 108.605 172.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.57 -0.95 0.31 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.419 0.449 . . . . 1.6 111.793 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.503 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -113.8 -42.2 3.46 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 120.914 -0.314 . . . . 2.13 111.397 -175.61 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.756 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 8.9 p -130.82 -2.54 4.14 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 119.353 -0.939 . . . . 1.22 111.218 -171.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.86 39.31 55.16 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.346 -0.843 . . . . 1.06 114.228 168.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.756 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 57.6 mttt -92.07 131.54 37.26 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.355 -0.609 . . . . 2.42 109.355 174.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.681 HD23 ' HG2' ' A' ' 79' ' ' LYS . 3.9 mm? -90.85 121.17 32.48 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.183 0.516 . . . . 1.4 110.987 -174.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 86.3 m-85 -116.31 136.14 53.26 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.495 -0.775 . . . . 0.68 109.896 177.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.569 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 64.1 p -85.33 -3.37 58.81 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.223 -0.899 . . . . 1.23 110.04 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 101' ' ' GLY . 24.9 m -133.34 128.54 35.89 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 114.514 -1.221 . . . . 1.34 109.042 175.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 26.1 p -67.52 -23.24 65.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.274 -0.421 . . . . 0.98 110.9 -177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' H ' HG23 ' A' ' 99' ' ' THR . . . -73.08 -46.07 29.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.925 -0.655 . . . . 0.76 112.28 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -56.03 -38.24 70.29 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.541 -0.911 . . . . 1.88 108.541 172.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.56 HD22 ' CB ' ' A' ' 88' ' ' TYR . 19.5 tp -66.14 -52.58 47.06 Favored 'General case' 0 N--CA 1.419 -2.019 0 CA-C-N 113.803 -1.544 . . . . 1.13 109.46 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.651 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 39.2 ttmt -51.88 -49.33 63.2 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.302 -1.317 . . . . 2.76 112.431 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.564 ' O ' HG12 ' A' ' 109' ' ' VAL . 35.8 ptt180 -66.98 -26.95 67.06 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.724 -0.79 . . . . 5.05 110.004 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.682 ' O ' HG22 ' A' ' 109' ' ' VAL . 72.5 t60 -78.98 -16.8 56.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 1.07 110.481 174.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.651 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -82.92 -27.14 30.83 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.938 -1.875 . . . . 1.53 105.938 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.576 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -83.06 -17.56 42.79 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 112.552 -2.113 . . . . 1.43 111.212 -176.315 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -76.03 -19.49 15.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 C-N-CA 119.7 -0.8 . . . . 1.58 109.22 175.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.477 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 89.7 m-70 -95.08 -1.59 51.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.447 -0.797 . . . . 1.32 110.725 177.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.0 m -151.85 37.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.524 0.678 . . . . 2.37 109.448 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.576 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.15 -1.361 . . . . 2.49 111.625 -171.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.4 mttm . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.805 0.336 . . . . 4.54 111.161 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.66 117.75 5.18 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 122.892 2.395 . . . . 2.31 109.956 169.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.45 ' HB3' HD21 ' A' ' 75' ' ' LEU . 41.5 m-85 -88.88 93.74 9.7 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.307 -0.861 . . . . 2.62 109.649 -175.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.629 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -108.21 145.24 16.29 Favored Glycine 0 N--CA 1.433 -1.552 0 C-N-CA 120.135 -1.031 . . . . 1.42 113.724 -172.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 22.0 t -60.74 122.34 14.54 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.808 -1.196 . . . . 1.27 110.338 177.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.12 -18.3 64.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.397 0.618 . . . . 3.94 110.397 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.554 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -82.15 -47.38 12.59 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.133 -0.939 . . . . 2.13 112.024 -173.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.2 p -121.74 -21.88 5.99 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.375 0.607 . . . . 1.38 110.27 -169.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.27 39.38 5.7 Favored Glycine 0 N--CA 1.437 -1.26 0 CA-C-N 115.189 -0.914 . . . . 1.42 113.781 168.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.411 ' O ' ' HA2' ' A' ' 61' ' ' GLY . 64.6 mttm -110.43 120.27 41.87 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.814 -0.439 . . . . 2.91 109.814 176.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.629 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -87.86 135.15 33.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.211 0.529 . . . . 1.55 111.004 -177.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.633 ' CD2' HD23 ' A' ' 74' ' ' LEU . 40.4 m-85 -112.99 162.67 15.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.524 -0.762 . . . . 1.33 111.517 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -79.43 -41.7 27.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.436 -0.802 . . . . 4.43 110.592 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.838 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 6.0 mp -105.22 148.53 26.85 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.21 -0.45 . . . . 2.44 111.111 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.93 -45.54 98.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.563 -0.744 . . . . 1.97 109.274 171.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -38.61 87.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 2.05 110.39 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.838 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -57.67 -49.88 75.03 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.455 0.645 . . . . 1.62 111.392 177.435 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 60' ' ' TYR . 5.1 tp -70.13 -30.55 67.76 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 114.935 -1.029 . . . . 1.73 110.15 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -71.23 -34.22 70.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.221 -0.9 . . . . 1.34 109.557 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.568 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -80.66 -22.5 40.4 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.299 -0.864 . . . . 1.24 110.143 178.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -67.15 -48.37 68.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.073 -0.967 . . . . 0.84 109.191 169.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -77.2 -20.24 55.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.464 -0.789 . . . . 2.49 109.804 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.952 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 18.4 ttmt -70.92 -43.61 67.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.272 -0.876 . . . . 1.47 110.102 169.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.458 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 23.7 tpt180 -65.56 -30.07 70.76 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.315 -0.402 . . . . 4.53 111.997 -173.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -60.27 -24.01 64.59 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.787 0.327 . . . . 1.17 111.288 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 m -118.23 20.8 13.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.211 0.529 . . . . 2.01 110.401 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.43 -59.34 4.38 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.294 -0.723 . . . . 0.77 111.294 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.952 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 6.8 pt-20 -153.42 141.2 20.07 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.663 -0.866 . . . . 2.0 108.663 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.528 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -90.94 95.12 9.96 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.121 0.486 . . . . 1.27 110.324 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.544 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 10.2 mmm180 -82.85 -91.61 0.07 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.388 -0.823 . . . . 2.74 111.565 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.677 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 27.3 m-85 -90.86 152.24 20.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.883 -1.053 . . . . 1.36 111.047 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.695 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 29.8 mtt180 -108.83 154.5 22.01 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.351 -0.981 . . . . 3.96 108.351 168.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.594 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 5.5 t -71.0 122.92 20.89 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 106.643 -1.614 . . . . 0.91 106.643 168.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -61.61 -3.03 0.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.996 0.369 . . . . 1.6 111.996 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.497 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.3 p30 -118.75 -36.97 3.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.402 -0.363 . . . . 2.13 111.966 -174.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.647 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 9.3 p -130.43 3.44 4.65 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 119.738 -0.785 . . . . 1.22 110.812 -171.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.65 36.69 90.53 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.221 -0.9 . . . . 1.06 114.604 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.647 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 15.6 mtpp -79.78 140.25 36.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.304 -0.628 . . . . 2.42 109.304 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.695 ' CD1' ' HG3' ' A' ' 89' ' ' ARG . 3.4 mm? -96.38 114.24 25.9 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.277 0.561 . . . . 1.4 110.548 -176.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 83.5 m-85 -112.89 135.43 53.67 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.309 -0.859 . . . . 0.68 109.893 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.544 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 44.6 p -79.45 -13.52 59.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.95 -1.023 . . . . 1.23 109.621 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.9 m -123.87 127.92 48.73 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 114.379 -1.282 . . . . 1.34 109.289 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 17.8 p -68.35 -25.71 65.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 0.98 111.14 -178.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.04 -41.82 26.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.994 -0.622 . . . . 0.76 112.571 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -59.04 -36.43 74.98 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 108.248 -1.019 . . . . 1.88 108.248 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.556 HD22 ' CB ' ' A' ' 88' ' ' TYR . 15.4 tp -65.77 -57.58 7.66 Favored 'General case' 0 N--CA 1.415 -2.204 0 CA-C-N 113.933 -1.485 . . . . 1.13 109.204 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.773 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 41.6 ttmt -47.86 -50.54 26.01 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.448 -1.251 . . . . 2.76 112.499 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.516 ' HA ' HD21 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -62.3 -29.6 70.55 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.441 -0.503 . . . . 5.05 110.341 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.719 ' O ' HG23 ' A' ' 109' ' ' VAL . 78.8 t60 -79.22 -19.1 51.59 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.111 -0.495 . . . . 1.07 110.759 176.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.773 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 8.0 mt-30 -81.38 -25.97 35.85 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 106.527 -1.657 . . . . 1.53 106.527 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.57 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -82.67 -15.68 51.1 Favored 'General case' 0 C--O 1.206 -1.205 0 CA-C-N 112.872 -1.967 . . . . 1.43 111.533 -176.236 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 106' ' ' HIS . 5.9 m -78.67 -16.65 13.59 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.76 -0.83 . . . . 1.58 108.76 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.501 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 71.7 m-70 -89.49 -13.59 37.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.226 -0.897 . . . . 1.32 110.696 175.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.8 p -141.41 34.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.537 0.684 . . . . 2.37 109.515 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.57 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.3 -1.278 . . . . 2.49 111.244 -171.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 75.1 mmtt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.465 -0.568 . . . . 4.54 109.465 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.78 116.84 4.64 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 122.342 2.028 . . . . 2.31 111.626 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 52.7 m-85 -124.11 105.51 9.6 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.255 -1.339 . . . . 2.62 109.728 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.76 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -106.93 162.14 13.62 Favored Glycine 0 N--CA 1.435 -1.41 0 C-N-CA 119.745 -1.216 . . . . 1.42 113.86 -171.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.579 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 45.2 t -80.13 141.65 35.55 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 113.989 -1.105 . . . . 1.27 110.347 177.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -85.19 -26.77 26.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.416 0.627 . . . . 3.94 110.088 177.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -88.17 -35.0 17.63 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.521 -0.763 . . . . 2.13 112.156 -167.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.409 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 18.1 p -114.73 -27.06 7.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.897 0.856 . . . . 1.38 108.925 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.579 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 86.31 35.8 10.43 Favored Glycine 0 N--CA 1.434 -1.47 0 CA-C-N 114.173 -1.376 . . . . 1.42 114.059 169.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -110.82 136.91 49.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.99 0.395 . . . . 2.91 110.075 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.76 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -90.37 137.4 32.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.063 0.458 . . . . 1.55 111.43 -177.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.563 ' CD2' HD21 ' A' ' 74' ' ' LEU . 19.2 m-85 -109.62 168.82 9.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.386 0.612 . . . . 1.33 111.759 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -83.2 -40.49 19.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.632 -1.167 . . . . 4.43 111.443 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.8 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 8.0 mp -115.81 159.39 21.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 2.44 111.697 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 10.0 mm -63.84 -50.58 76.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.514 -0.766 . . . . 1.97 109.965 172.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.0 t -66.77 -27.02 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 2.05 110.302 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.8 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.93 -53.09 59.45 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.357 0.598 . . . . 1.62 110.649 174.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.565 ' HG ' ' HE3' ' A' ' 79' ' ' LYS . 13.2 tp -70.0 -27.18 64.49 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.088 -0.96 . . . . 1.73 109.865 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -68.44 -38.53 81.23 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.776 -1.102 . . . . 1.34 109.709 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.415 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.9 mm? -80.23 -20.41 44.65 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.513 0.673 . . . . 1.24 109.897 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -68.74 -45.21 72.06 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.085 -0.962 . . . . 0.84 109.723 171.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.669 ' HD3' HD22 ' A' ' 96' ' ' LEU . 16.5 ptpt -80.73 -20.44 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.062 -0.517 . . . . 2.49 109.833 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.596 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 32.8 ttmt -71.67 -38.67 70.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.633 -0.712 . . . . 1.47 109.367 168.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -59.25 -43.07 92.46 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.09 -0.505 . . . . 4.53 112.055 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -67.51 -29.12 68.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.736 0.303 . . . . 1.17 111.505 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 m -105.48 9.25 33.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.752 0.31 . . . . 2.01 111.42 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.62 -59.12 4.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.582 -0.818 . . . . 0.77 111.291 -175.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.875 ' HG3' ' HE ' ' A' ' 87' ' ' ARG . 1.1 pm0 -132.46 -169.15 2.18 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 108.857 -0.794 . . . . 2.0 108.857 172.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.538 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -152.25 98.76 2.45 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.518 -0.549 . . . . 1.27 109.518 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.875 ' HE ' ' HG3' ' A' ' 85' ' ' GLU . 20.5 mmt180 -93.03 -77.28 0.45 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.468 0.651 . . . . 2.74 111.495 -170.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.606 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 9.9 m-85 -93.52 150.78 20.17 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.741 -1.118 . . . . 1.36 109.816 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 13.2 ptt-85 -122.96 153.82 39.22 Favored 'General case' 0 CA--C 1.494 -1.202 0 CA-C-O 121.766 0.793 . . . . 3.96 109.011 167.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.612 ' C ' ' H ' ' A' ' 92' ' ' ASP . 12.6 t -68.28 109.43 3.6 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.911 -1.514 . . . . 0.91 106.911 166.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.6 13.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.56 0.695 . . . . 1.6 110.484 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -106.9 -47.77 3.64 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.807 -1.088 . . . . 2.13 109.743 178.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.743 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 13.7 p -130.54 -5.85 4.18 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.989 -0.684 . . . . 1.22 111.034 -173.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.76 40.39 26.5 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.328 -0.851 . . . . 1.06 113.964 169.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.743 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 60.3 mttt -93.12 129.32 39.15 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.192 -0.67 . . . . 2.42 109.192 173.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.669 HD22 ' HD3' ' A' ' 79' ' ' LYS . 4.1 mm? -94.1 114.95 27.2 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.087 0.47 . . . . 1.4 111.025 -173.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -108.14 141.24 40.17 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.468 -0.787 . . . . 0.68 109.897 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.457 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 65.8 p -94.08 13.23 23.73 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 122.134 0.968 . . . . 1.23 109.837 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.7 m -149.35 128.62 12.88 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 113.979 -1.464 . . . . 1.34 108.678 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.3 p -66.55 -28.13 68.29 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.211 -0.449 . . . . 0.98 110.769 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.51 -42.71 72.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.877 -0.678 . . . . 0.76 112.434 174.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 4.6 m-20 -59.58 -38.23 80.63 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.463 -0.94 . . . . 1.88 108.463 173.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 88' ' ' TYR . 30.8 tp -65.39 -54.78 23.71 Favored 'General case' 0 N--CA 1.418 -2.066 0 CA-C-N 113.894 -1.503 . . . . 1.13 109.345 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.584 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 83.7 mttt -48.42 -51.33 27.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.51 -1.223 . . . . 2.76 112.589 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.529 ' O ' HG13 ' A' ' 109' ' ' VAL . 8.0 ppt_? -62.37 -29.4 70.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.107 -0.637 . . . . 5.05 110.203 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.665 ' O ' HG23 ' A' ' 109' ' ' VAL . 78.0 t60 -80.68 -17.82 49.92 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.253 0.549 . . . . 1.07 111.112 175.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.584 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -82.57 -24.54 33.92 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.802 -1.555 . . . . 1.53 106.802 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -83.71 -27.46 28.97 Favored 'General case' 0 C--O 1.202 -1.402 0 CA-C-N 113.215 -1.812 . . . . 1.43 110.665 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 106' ' ' HIS . 5.5 m -66.29 -21.24 28.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 C-N-CA 119.729 -0.788 . . . . 1.58 109.34 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.462 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 89.4 m-70 -87.8 -1.49 58.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.548 -0.751 . . . . 1.32 111.875 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 t -162.91 40.04 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.879 0.847 . . . . 2.37 108.906 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.767 -1.106 . . . . 2.49 111.49 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.057 -0.349 . . . . 4.54 110.057 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.36 115.64 3.45 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.19 1.926 . . . . 2.31 111.503 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -129.48 97.12 4.46 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 114.383 -1.281 . . . . 2.62 108.941 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 1.02 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -101.98 150.98 18.38 Favored Glycine 0 N--CA 1.426 -1.984 0 C-N-CA 120.015 -1.088 . . . . 1.42 113.285 -171.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.467 ' C ' ' H ' ' A' ' 64' ' ' GLU . 1.4 t -76.88 98.84 5.0 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.409 -0.96 . . . . 1.27 108.409 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.18 -5.83 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.126 0.965 . . . . 3.94 109.839 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' A' ' 62' ' ' CYS . 1.5 tt0 -82.77 -38.87 22.58 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.007 -1.451 . . . . 2.13 111.725 -177.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 p -129.04 -14.17 4.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.153 0.501 . . . . 1.38 111.086 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.28 26.59 17.97 Favored Glycine 0 N--CA 1.434 -1.458 0 CA-C-N 115.573 -0.739 . . . . 1.42 114.198 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -111.97 119.34 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.545 -0.385 . . . . 2.91 110.852 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 1.02 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -87.48 138.44 31.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 1.55 110.88 178.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.558 ' CD2' HD23 ' A' ' 74' ' ' LEU . 34.0 m-85 -113.3 174.71 5.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.0 -0.545 . . . . 1.33 111.442 178.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' C ' HD12 ' A' ' 71' ' ' LEU . 22.3 mmm180 -96.08 -37.63 10.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.733 -0.667 . . . . 4.43 111.088 -172.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.532 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -112.08 161.3 16.64 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.255 -0.278 . . . . 2.44 110.389 178.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.3 mm -66.02 -47.9 83.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.851 -0.426 . . . . 1.97 109.851 174.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 t -61.38 -35.63 78.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 2.05 110.417 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 69' ' ' TYR . 1.2 mt -54.32 -55.5 27.76 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.578 0.704 . . . . 1.62 111.593 174.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.434 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 17.9 tp -68.7 -30.61 69.3 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.549 -1.205 . . . . 1.73 109.656 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -70.15 -43.45 70.86 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.141 -1.39 . . . . 1.34 109.343 -176.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.786 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.4 mm? -80.99 -20.94 40.77 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 115.18 -0.918 . . . . 1.24 110.339 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.534 ' HD1' ' HH ' ' A' ' 69' ' ' TYR . 23.4 t60 -64.92 -43.19 93.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.924 -0.769 . . . . 0.84 108.924 169.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.89 ' HD3' HD22 ' A' ' 96' ' ' LEU . 14.0 ttmm -66.93 -31.55 72.21 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.369 -0.832 . . . . 2.49 109.26 178.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.989 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 13.5 mptt -62.38 -47.07 85.76 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.579 -0.737 . . . . 1.47 110.78 169.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.786 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 30.0 mmm180 -54.79 -26.95 38.02 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.12 0.415 . . . . 4.53 112.12 -176.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -64.9 -45.21 86.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.18 -0.464 . . . . 1.17 112.072 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 p -130.14 30.5 4.78 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.199 0.444 . . . . 2.01 112.199 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.1 -57.56 4.61 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.193 -0.763 . . . . 0.77 111.193 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.989 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.2 pm0 -137.14 -172.75 3.27 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 109.248 -0.649 . . . . 2.0 109.248 173.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.454 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -145.17 100.35 3.46 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.082 -0.71 . . . . 1.27 109.082 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.646 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 23.1 mmm180 -96.37 -80.32 0.43 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.308 0.575 . . . . 2.74 111.696 -170.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 10.0 m-85 -88.16 154.61 20.31 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.101 -0.954 . . . . 1.36 109.984 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.566 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 19.5 ptt180 -124.25 150.33 45.45 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 119.884 -0.726 . . . . 3.96 110.073 170.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.495 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 19.3 t -60.58 123.39 17.24 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.182 -1.372 . . . . 0.91 108.124 171.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.55 6.17 2.0 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.025 0.44 . . . . 1.6 111.129 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.495 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -116.08 -43.34 2.98 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.092 -0.504 . . . . 2.13 111.173 -178.189 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.5 p -130.19 1.09 4.67 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 119.611 -0.836 . . . . 1.22 110.468 -171.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.6 36.06 75.63 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.169 -0.923 . . . . 1.06 113.403 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 9.4 mmtp -81.49 125.5 30.54 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 123.017 0.527 . . . . 2.42 110.262 174.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.89 HD22 ' HD3' ' A' ' 79' ' ' LYS . 3.7 mm? -89.31 126.53 35.56 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.279 0.561 . . . . 1.4 111.21 -175.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.515 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 90.2 m-85 -124.22 141.67 51.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.399 -0.819 . . . . 0.68 110.239 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.56 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 81.4 p -88.68 4.06 48.53 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.001 0.905 . . . . 1.23 110.023 -178.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.413 ' HB ' ' OD1' ' A' ' 102' ' ' ASN . 50.9 m -143.83 128.85 18.57 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.31 -1.314 . . . . 1.34 109.158 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.545 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 9.1 p -67.27 -27.48 67.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 0.98 111.133 -176.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.542 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -73.99 -41.85 39.14 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.783 -0.722 . . . . 0.76 112.164 175.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.413 ' OD1' ' HB ' ' A' ' 99' ' ' THR . 11.4 m120 -59.2 -38.13 79.14 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 108.308 -0.997 . . . . 1.88 108.308 173.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.565 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 14.2 tp -65.02 -51.74 59.92 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 113.475 -1.693 . . . . 1.13 109.4 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.436 ' O ' HD13 ' A' ' 108' ' ' LEU . 21.1 ttmm -50.2 -48.43 54.25 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.358 -1.292 . . . . 2.76 111.533 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.567 ' O ' HG11 ' A' ' 109' ' ' VAL . 10.4 mmm180 -56.58 -44.28 80.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.411 . . . . 5.05 109.919 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.645 ' O ' HG23 ' A' ' 109' ' ' VAL . 70.6 t60 -69.16 -18.76 63.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.812 -0.631 . . . . 1.07 111.29 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 12.5 mm-40 -81.76 -29.0 33.01 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 107.452 -1.314 . . . . 1.53 107.452 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.5 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -82.36 -18.45 42.06 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 113.488 -1.687 . . . . 1.43 110.85 -175.413 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 106' ' ' HIS . 4.9 m -77.29 -19.56 14.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 C-N-CA 119.94 -0.704 . . . . 1.58 109.254 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.564 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 84.4 m-70 -87.99 -9.22 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.621 -0.718 . . . . 1.32 111.234 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 p -158.55 41.54 0.25 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.479 0.656 . . . . 2.37 110.412 -176.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.5 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.499 -1.167 . . . . 2.49 112.325 -173.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.559 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 56.3 tttp . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.383 -0.599 . . . . 4.54 109.383 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.62 117.06 3.78 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.451 2.101 . . . . 2.31 111.513 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.559 ' CE1' ' HD3' ' A' ' 58' ' ' LYS . 43.5 m-85 -120.61 99.65 6.67 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 114.316 -1.311 . . . . 2.62 108.588 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.7 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -114.37 144.21 18.24 Favored Glycine 0 N--CA 1.432 -1.567 0 C-N-CA 119.505 -1.331 . . . . 1.42 114.283 -171.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 3.2 t -66.93 106.88 2.04 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.585 -1.307 . . . . 1.27 109.939 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.64 -6.94 8.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.49 0.662 . . . . 3.94 110.76 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.8 tt0 -84.62 -42.9 14.93 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.008 -0.996 . . . . 2.13 111.487 -176.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 p -127.9 -18.39 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.083 0.468 . . . . 1.38 110.732 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.05 28.51 13.39 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 115.803 -0.635 . . . . 1.42 114.334 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -104.92 124.59 49.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.08 0.44 . . . . 2.91 109.821 173.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.7 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 1.0 OUTLIER -97.51 143.03 28.63 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.538 0.685 . . . . 1.55 110.962 178.564 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.582 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 58.0 m-85 -123.0 147.35 46.74 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.723 -1.126 . . . . 1.33 110.332 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.529 ' HG3' HD22 ' A' ' 71' ' ' LEU . 24.2 ptt180 -76.21 -32.12 58.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.923 -0.581 . . . . 4.43 111.721 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -104.17 153.33 21.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 120.667 -0.413 . . . . 2.44 110.805 177.402 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 14.5 mm -64.89 -49.22 80.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.227 -0.442 . . . . 1.97 110.148 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 m -61.2 -27.66 68.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 2.05 111.132 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 2.2 mt -60.81 -56.59 19.34 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.686 0.755 . . . . 1.62 111.521 174.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.468 HD21 ' HB3' ' A' ' 60' ' ' TYR . 9.0 tp -70.94 -24.73 62.49 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 114.459 -1.246 . . . . 1.73 109.517 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -69.08 -40.0 78.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.304 -1.316 . . . . 1.34 109.264 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -80.91 -19.89 43.34 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.641 -0.708 . . . . 1.24 110.654 178.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -66.94 -46.48 74.61 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.23 -0.895 . . . . 0.84 108.891 171.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 79' ' ' LYS . 15.3 ttmm -70.74 -38.65 73.54 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.409 -0.814 . . . . 2.49 109.608 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.796 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 27.0 ttmt -59.31 -37.99 79.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.633 -0.712 . . . . 1.47 110.351 173.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -66.21 -29.58 69.87 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.088 0.403 . . . . 4.53 112.088 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -67.53 -50.53 58.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.147 -0.346 . . . . 1.17 111.241 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m -92.75 15.17 15.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.019 0.438 . . . . 2.01 111.347 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.87 -47.48 3.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.849 -0.691 . . . . 0.77 112.017 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.796 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.1 pt-20 -155.01 149.8 26.64 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 108.905 -0.776 . . . . 2.0 108.905 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.681 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -98.64 91.14 4.99 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.243 0.544 . . . . 1.27 109.941 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 28.7 mmt180 -84.63 -90.69 0.09 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.444 -0.798 . . . . 2.74 111.507 -178.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 33.0 m-85 -86.22 149.96 24.72 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.778 -1.101 . . . . 1.36 109.664 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.629 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 39.5 ptt180 -125.77 148.47 49.09 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 120.113 -0.635 . . . . 3.96 109.643 169.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.607 ' HA ' ' OE1' ' A' ' 107' ' ' GLN . 46.9 t -55.61 120.8 7.81 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.588 -1.187 . . . . 0.91 108.392 173.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.51 6.34 0.64 Allowed 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.616 0.572 . . . . 1.6 111.32 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.474 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -120.97 -40.81 2.59 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.282 -0.417 . . . . 2.13 111.979 -178.63 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.3 p -131.35 -1.94 3.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 119.463 -0.895 . . . . 1.22 111.464 -171.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.39 38.25 39.2 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.746 -0.661 . . . . 1.06 113.755 171.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.629 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 5.5 mmtm -82.7 125.94 31.8 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 123.362 0.665 . . . . 2.42 110.293 172.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.614 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.7 mm? -91.71 125.82 36.57 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.948 0.404 . . . . 1.4 111.127 -175.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' A' ' 95' ' ' LYS . 75.3 m-85 -126.03 146.99 49.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.433 -0.803 . . . . 0.68 110.278 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -96.06 10.19 38.34 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.705 0.764 . . . . 1.23 110.118 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.4 m -146.68 128.85 15.66 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.744 -1.116 . . . . 1.34 108.718 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.454 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 19.6 p -68.62 -28.61 67.06 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.334 0.396 . . . . 0.98 111.304 -175.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.11 -35.66 37.78 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.464 -0.874 . . . . 0.76 112.683 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.9 -37.26 85.63 Favored 'General case' 0 CA--C 1.49 -1.358 0 N-CA-C 107.885 -1.154 . . . . 1.88 107.885 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.552 HD23 ' HB3' ' A' ' 88' ' ' TYR . 12.4 tp -62.29 -52.27 64.38 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-N 113.476 -1.693 . . . . 1.13 108.899 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.537 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 38.2 ttpt -52.19 -44.53 64.76 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 114.097 -1.41 . . . . 2.76 111.539 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.541 ' O ' HG11 ' A' ' 109' ' ' VAL . 3.3 mmp_? -51.87 -47.04 64.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.004 0.43 . . . . 5.05 109.945 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.637 ' O ' HG23 ' A' ' 109' ' ' VAL . 74.2 t60 -71.87 -17.82 62.1 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.417 -0.811 . . . . 1.07 111.994 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.607 ' OE1' ' HA ' ' A' ' 90' ' ' CYS . 2.3 mm100 -84.57 -27.6 27.17 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.531 -1.285 . . . . 1.53 107.531 -178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -75.61 -36.26 60.32 Favored 'General case' 0 CA--C 1.484 -1.573 0 CA-C-N 113.37 -1.741 . . . . 1.43 109.949 -178.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 106' ' ' HIS . 5.0 m -60.93 -23.9 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-O 121.011 0.434 . . . . 1.58 109.862 -175.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.481 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 75.4 m-70 -76.63 -7.23 54.84 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.682 -0.69 . . . . 1.32 112.301 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 t -157.71 27.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.046 0.927 . . . . 2.37 109.18 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-N 114.534 -1.212 . . . . 2.49 111.362 -174.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.598 0.237 . . . . 4.54 110.664 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.26 119.51 6.8 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.244 2.629 . . . . 2.31 111.508 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.618 ' HB3' HD23 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -125.03 170.2 11.39 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.124 -1.398 . . . . 2.62 107.735 177.392 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.572 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -157.84 152.76 23.99 Favored Glycine 0 N--CA 1.436 -1.353 0 C-N-CA 119.503 -1.332 . . . . 1.42 112.592 175.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.4 t -64.77 112.99 3.49 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.187 -0.507 . . . . 1.27 110.255 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.73 -14.16 19.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.677 0.751 . . . . 3.94 111.298 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -48.71 6.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.327 -0.851 . . . . 2.13 112.225 -175.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.407 ' SG ' ' HD3' ' A' ' 67' ' ' LYS . 26.6 p -116.29 -20.06 9.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.424 0.63 . . . . 1.38 109.639 -167.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.57 19.35 41.44 Favored Glycine 0 N--CA 1.437 -1.274 0 CA-C-N 114.987 -1.006 . . . . 1.42 114.448 166.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HD3' ' SG ' ' A' ' 65' ' ' CYS . 4.0 mptp? -93.44 128.84 39.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.864 -0.421 . . . . 2.91 109.864 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.572 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -92.22 146.07 24.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.174 0.511 . . . . 1.55 111.676 -178.619 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.623 ' CD2' HD22 ' A' ' 74' ' ' LEU . 43.7 m-85 -123.22 150.42 43.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.441 -0.8 . . . . 1.33 111.694 178.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -73.11 -40.3 65.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.503 -1.226 . . . . 4.43 110.86 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.92 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 5.6 mp -105.19 148.05 27.34 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.096 -0.502 . . . . 2.44 110.668 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.614 HD12 ' CD2' ' A' ' 60' ' ' TYR . 12.3 mm -69.76 -41.35 79.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.59 -0.732 . . . . 1.97 109.372 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 19.3 m -67.81 -28.74 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.931 -0.577 . . . . 2.05 110.38 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.92 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.68 -49.68 74.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-O 121.386 0.612 . . . . 1.62 110.86 176.215 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.618 HD23 ' HB3' ' A' ' 60' ' ' TYR . 12.6 tp -70.27 -30.46 67.49 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.137 -0.938 . . . . 1.73 109.879 176.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -65.42 -38.58 90.35 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.134 -0.939 . . . . 1.34 109.344 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.542 HD12 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -77.68 -21.03 52.68 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.041 -0.981 . . . . 1.24 110.386 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -76.36 -36.15 58.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.717 -0.674 . . . . 0.84 109.64 172.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 79' ' ' LYS . 2.7 tppp? -70.64 -36.82 73.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.245 -1.02 . . . . 2.49 108.245 177.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.996 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.4 ttmt -61.76 -45.32 94.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.526 -1.215 . . . . 1.47 110.467 171.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -57.91 -41.43 82.65 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.254 -0.43 . . . . 4.53 112.071 -176.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -71.82 -31.25 66.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.58 0.228 . . . . 1.17 111.56 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.1 m -101.37 13.37 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.899 0.38 . . . . 2.01 111.063 -174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.26 -58.2 5.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.77 111.32 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.996 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 7.6 pt-20 -161.04 143.68 12.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.035 -0.728 . . . . 2.0 109.035 175.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.487 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -90.36 94.6 9.81 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.086 0.469 . . . . 1.27 110.644 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.497 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.9 mmm180 -86.18 -84.35 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.932 0.872 . . . . 2.74 111.121 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.1 m-85 -92.35 157.04 16.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.397 -1.274 . . . . 1.36 109.941 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.622 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 19.1 ptt180 -127.04 148.91 50.11 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 108.942 -0.762 . . . . 3.96 108.942 167.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.618 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 1.8 t -61.62 122.23 14.77 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.559 -1.2 . . . . 0.91 107.936 172.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.69 10.98 0.93 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.973 0.416 . . . . 1.6 111.018 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.493 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.8 p30 -120.18 -38.54 2.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.53 . . . . 2.13 111.471 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 p -130.48 2.34 4.57 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 120.042 -0.663 . . . . 1.22 110.331 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.57 32.73 84.3 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.147 -0.933 . . . . 1.06 114.296 173.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 41.7 mttm -81.61 134.7 35.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.968 0.384 . . . . 2.42 110.714 173.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.625 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -93.11 125.8 37.88 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.118 0.485 . . . . 1.4 110.815 -174.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.548 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 74.8 m-85 -125.59 141.41 52.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.288 -0.869 . . . . 0.68 109.93 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.497 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 73.1 p -83.85 -12.75 55.11 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.536 -0.756 . . . . 1.23 110.136 -177.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.422 HG21 ' H ' ' A' ' 101' ' ' GLY . 43.0 m -125.23 129.5 50.19 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.784 -1.098 . . . . 1.34 109.617 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 19.1 p -68.13 -27.12 66.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.084 -0.507 . . . . 0.98 111.24 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' H ' HG21 ' A' ' 99' ' ' THR . . . -78.68 -38.69 23.41 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.908 -0.663 . . . . 0.76 112.732 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -60.63 -40.38 91.72 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 107.736 -1.209 . . . . 1.88 107.736 172.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 88' ' ' TYR . 12.9 tp -60.79 -59.45 5.36 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 113.515 -1.675 . . . . 1.13 109.099 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.632 ' CA ' ' HG3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -40.07 -54.2 2.3 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.028 1.331 . . . . 2.76 112.717 176.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.584 ' O ' HG13 ' A' ' 109' ' ' VAL . 48.3 mtt180 -49.73 -50.39 44.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.543 . . . . 5.05 110.637 175.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.618 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 68.3 t60 -66.69 -17.83 65.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.187 -0.915 . . . . 1.07 111.607 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.632 ' HG3' ' CA ' ' A' ' 104' ' ' LYS . 9.4 mt-30 -85.53 -30.8 23.12 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.501 -1.296 . . . . 1.53 107.501 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -76.68 -27.9 55.72 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-N 113.158 -1.837 . . . . 1.43 110.083 -176.393 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 105' ' ' ARG . 5.0 m -69.41 -17.27 21.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 C-N-CA 119.587 -0.845 . . . . 1.58 109.908 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.573 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 71.6 m-70 -83.99 -16.4 44.18 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.623 -0.717 . . . . 1.32 111.265 177.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 m -163.02 51.76 0.17 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.378 0.609 . . . . 2.37 109.896 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.74 -1.033 . . . . 2.49 112.119 -172.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.721 0.296 . . . . 4.54 111.171 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.34 117.64 4.67 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 122.846 2.364 . . . . 2.31 111.309 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -119.69 103.57 9.5 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.561 -1.2 . . . . 2.62 109.224 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.722 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -112.59 145.76 18.15 Favored Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 119.361 -1.4 . . . . 1.42 113.945 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.567 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 45.7 t -61.01 137.51 58.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.666 -1.267 . . . . 1.27 111.496 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.41 -30.9 62.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.329 -0.851 . . . . 3.94 110.51 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -91.75 -34.98 14.39 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.601 -0.727 . . . . 2.13 112.897 -166.006 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 23.1 p -115.0 -29.64 6.62 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.854 -0.795 . . . . 1.38 108.854 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 91.51 18.56 44.72 Favored Glycine 0 N--CA 1.433 -1.526 0 CA-C-N 114.363 -1.29 . . . . 1.42 113.642 172.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -88.58 131.0 35.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.782 -0.451 . . . . 2.91 109.782 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.722 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -95.07 138.72 32.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.28 0.562 . . . . 1.55 112.214 -174.728 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.786 ' HH ' ' HD1' ' A' ' 78' ' ' HIS . 38.4 m-85 -114.89 -178.87 3.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.182 -0.917 . . . . 1.33 110.418 175.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -102.7 -40.47 6.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.141 -0.481 . . . . 4.43 110.969 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.725 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 3.6 mp -101.03 151.0 22.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.219 -0.446 . . . . 2.44 110.729 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.562 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 18.5 mm -64.94 -46.9 90.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.601 -0.518 . . . . 1.97 109.601 174.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 14.6 m -62.55 -34.38 76.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.294 -0.412 . . . . 2.05 110.641 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.725 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.9 mt -56.21 -54.78 41.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.972 0.891 . . . . 1.62 111.546 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 tp -72.08 -24.41 61.5 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.157 -1.383 . . . . 1.73 110.002 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.562 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -72.03 -37.13 69.81 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.577 -1.192 . . . . 1.34 109.36 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.488 HD11 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -80.21 -21.93 42.37 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.347 -0.842 . . . . 1.24 109.904 177.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.786 ' HD1' ' HH ' ' A' ' 69' ' ' TYR . 41.2 t60 -67.92 -42.53 80.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.25 -0.886 . . . . 0.84 109.188 170.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.808 ' HD2' HD23 ' A' ' 96' ' ' LEU . 36.1 ttmt -69.97 -38.26 76.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.247 -0.888 . . . . 2.49 108.993 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.937 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 24.9 ttmt -62.55 -36.3 82.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.202 -0.908 . . . . 1.47 110.797 172.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -65.97 -34.63 78.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.816 0.302 . . . . 4.53 111.816 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -72.64 -47.47 47.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.738 0.304 . . . . 1.17 111.125 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.1 p -73.82 -18.06 61.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.092 0.472 . . . . 2.01 110.61 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.89 -48.02 0.99 Allowed Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 109.862 -1.295 . . . . 0.77 109.862 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.937 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 9.2 pt-20 -161.33 140.93 10.42 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 109.008 -0.738 . . . . 2.0 109.008 172.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.532 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -81.97 93.26 6.91 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.379 0.609 . . . . 1.27 110.703 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 46.8 mmm-85 -83.65 -91.6 0.08 Allowed 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.207 -0.906 . . . . 2.74 111.519 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.628 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.8 m-85 -86.93 154.98 20.4 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.277 -1.329 . . . . 1.36 109.837 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 21.8 ptt180 -126.58 154.17 44.28 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.623 0.725 . . . . 3.96 109.52 169.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.48 ' C ' ' H ' ' A' ' 92' ' ' ASP . 43.7 t -66.92 113.22 4.78 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 114.622 -1.172 . . . . 0.91 108.401 169.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.52 1.41 1.2 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.155 0.502 . . . . 1.6 111.033 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' A' ' 90' ' ' CYS . 12.0 t70 -104.36 -46.24 4.45 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.226 -0.443 . . . . 2.13 110.113 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.681 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 8.6 p -129.45 -2.92 4.9 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 118.911 -1.116 . . . . 1.22 111.669 -174.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.02 39.71 45.13 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.511 -0.768 . . . . 1.06 114.165 167.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.681 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 56.9 mttt -91.28 136.63 32.97 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.183 -0.673 . . . . 2.42 109.183 173.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.808 HD23 ' HD2' ' A' ' 79' ' ' LYS . 3.5 mm? -96.94 122.57 40.07 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.011 0.434 . . . . 1.4 111.221 -172.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.556 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 78.5 m-85 -118.82 137.42 53.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.578 -0.737 . . . . 0.68 110.175 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.487 HG21 ' O ' ' A' ' 85' ' ' GLU . 49.0 p -79.1 -4.73 51.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.733 0.778 . . . . 1.23 110.134 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.401 HG21 ' H ' ' A' ' 101' ' ' GLY . 86.0 m -135.56 129.77 33.49 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.461 -1.245 . . . . 1.34 109.465 -175.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 59.9 p -71.56 -23.54 61.77 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.167 -0.308 . . . . 0.98 110.167 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.401 ' H ' HG21 ' A' ' 99' ' ' THR . . . -76.24 -43.47 20.66 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.1 -0.571 . . . . 0.76 112.44 174.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.97 -37.19 81.54 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.199 -1.037 . . . . 1.88 108.199 173.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 88' ' ' TYR . 17.8 tp -64.72 -51.91 59.88 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 113.695 -1.593 . . . . 1.13 108.998 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 108' ' ' LEU . 40.5 ttmt -49.84 -49.78 47.8 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.59 -1.186 . . . . 2.76 111.572 179.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.506 ' O ' HG11 ' A' ' 109' ' ' VAL . 19.4 mmm180 -51.08 -44.2 61.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.444 0.64 . . . . 5.05 110.404 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.644 ' CE1' ' HD2' ' A' ' 95' ' ' LYS . 71.2 t60 -76.48 -15.65 59.85 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.92 -1.037 . . . . 1.07 111.411 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.59 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.4 mm-40 -85.39 -27.89 25.51 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.816 -1.55 . . . . 1.53 106.816 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.668 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -80.45 -13.7 58.9 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-N 113.315 -1.766 . . . . 1.43 110.858 -176.47 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 106' ' ' HIS . 7.0 m -83.66 -17.62 10.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 C-N-CA 119.782 -0.767 . . . . 1.58 109.496 174.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 60.4 m-70 -94.09 -5.99 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.434 -0.803 . . . . 1.32 110.434 176.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -153.29 43.08 0.6 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.823 0.821 . . . . 2.37 108.838 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.668 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.785 -1.009 . . . . 2.49 111.693 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 58' ' ' LYS . 42.8 mtpt . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.343 0.116 . . . . 4.54 110.704 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -56.57 118.73 5.61 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.852 2.368 . . . . 2.31 110.951 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -106.12 102.24 11.67 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.117 -1.401 . . . . 2.62 108.568 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.761 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -115.5 150.28 18.7 Favored Glycine 0 N--CA 1.425 -2.04 0 C-N-CA 119.131 -1.509 . . . . 1.42 114.905 -167.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.425 ' C ' ' H ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -71.94 103.7 3.28 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 113.08 -1.56 . . . . 1.27 109.637 177.608 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.48 -6.58 11.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.038 0.923 . . . . 3.94 109.999 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 62' ' ' CYS . 0.3 OUTLIER -90.19 -38.14 13.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.533 -1.212 . . . . 2.13 112.354 -175.375 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 11.9 p -127.17 -18.58 4.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.217 0.532 . . . . 1.38 110.679 -174.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.79 26.62 19.23 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-N 115.558 -0.747 . . . . 1.42 114.055 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -110.89 130.39 55.59 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.868 -0.419 . . . . 2.91 109.868 174.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.761 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -104.99 143.52 33.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.051 0.453 . . . . 1.55 111.482 -176.79 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.507 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 31.3 m-85 -113.59 168.92 9.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.403 -0.817 . . . . 1.33 111.943 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' C ' HD11 ' A' ' 71' ' ' LEU . 25.0 ttt180 -83.94 -41.97 16.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.14 -0.936 . . . . 4.43 110.761 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.522 HD23 HD12 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -111.99 164.59 12.95 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.613 -0.267 . . . . 2.44 110.654 179.743 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 15.6 mm -71.08 -42.9 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 109.52 -0.548 . . . . 1.97 109.52 174.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -61.82 -34.94 76.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.101 -0.5 . . . . 2.05 110.506 177.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.522 HD12 HD23 ' A' ' 71' ' ' LEU . 1.7 mt -57.18 -54.68 44.08 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.694 0.759 . . . . 1.62 111.324 175.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.2 tp -72.14 -24.13 61.41 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.713 -1.13 . . . . 1.73 109.623 -178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.2 t-20 -68.01 -37.44 81.44 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.698 -1.137 . . . . 1.34 108.959 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.655 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 1.5 mm? -78.89 -29.79 44.56 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 115.308 -0.86 . . . . 1.24 110.217 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 67.2 t60 -66.58 -37.76 85.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.537 0.684 . . . . 0.84 109.358 172.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.544 ' HG3' HD23 ' A' ' 96' ' ' LEU . 17.0 tppt? -73.35 -33.41 65.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.332 -0.849 . . . . 2.49 109.091 178.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.978 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.0 ttmt -67.59 -31.86 72.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.346 -0.843 . . . . 1.47 110.134 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 33.0 mmt180 -59.95 -49.32 78.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.9 0.381 . . . . 4.53 111.301 176.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -65.59 -33.04 74.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 1.17 111.797 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.7 p -95.02 1.76 55.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.99 0.424 . . . . 2.01 111.638 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.86 -54.74 4.98 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.364 -1.094 . . . . 0.77 110.364 -172.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.978 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 11.3 pt-20 -159.68 145.13 15.61 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.602 -0.888 . . . . 2.0 108.602 169.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.713 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -82.58 94.09 7.44 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.81 -0.632 . . . . 1.27 111.144 -176.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.697 ' HG3' ' HA ' ' A' ' 98' ' ' THR . 22.5 mmm-85 -93.27 -86.39 0.26 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.384 -0.825 . . . . 2.74 111.079 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.677 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 5.2 m-85 -94.7 147.37 23.39 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.339 -0.846 . . . . 1.36 110.287 178.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.73 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 14.4 mtt180 -108.8 154.39 22.14 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.869 0.842 . . . . 3.96 109.359 170.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.564 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 3.3 t -75.76 116.18 16.21 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 106.893 -1.521 . . . . 0.91 106.893 168.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.23 0.03 0.2 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.286 0.476 . . . . 1.6 112.286 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.485 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.3 p30 -113.02 -40.88 3.84 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 111.495 0.183 . . . . 2.13 111.495 -178.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.618 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.2 p -130.43 2.54 4.61 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 119.873 -0.731 . . . . 1.22 110.996 -170.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.39 39.07 94.33 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.09 -0.959 . . . . 1.06 114.586 173.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.709 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 38.5 mtpt -80.11 145.78 32.22 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 109.024 -0.732 . . . . 2.42 109.024 169.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.73 ' CD1' ' HG3' ' A' ' 89' ' ' ARG . 3.9 mm? -103.3 118.56 37.04 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.438 0.637 . . . . 1.4 110.713 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.55 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 89.9 m-85 -116.63 139.87 50.04 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.152 -0.931 . . . . 0.68 109.981 177.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.697 ' HA ' ' HG3' ' A' ' 87' ' ' ARG . 71.2 p -88.76 11.38 17.88 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.872 0.844 . . . . 1.23 110.549 -175.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.43 ' HB ' ' OD1' ' A' ' 102' ' ' ASN . 6.6 m -155.31 130.34 9.43 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 114.824 -1.08 . . . . 1.34 108.667 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.451 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 72.4 p -65.8 -25.95 67.47 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.3 -0.409 . . . . 0.98 110.732 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.61 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -71.87 -47.51 32.0 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.948 -0.644 . . . . 0.76 112.155 174.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.43 ' OD1' ' HB ' ' A' ' 99' ' ' THR . 13.4 m120 -55.42 -40.28 71.3 Favored 'General case' 0 CA--C 1.494 -1.2 0 N-CA-C 108.419 -0.956 . . . . 1.88 108.419 173.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 88' ' ' TYR . 20.6 tp -64.72 -51.93 59.8 Favored 'General case' 0 N--CA 1.421 -1.903 0 CA-C-N 113.75 -1.568 . . . . 1.13 109.311 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.598 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 41.4 ttmt -52.46 -48.26 65.96 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.418 -1.264 . . . . 2.76 111.775 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 43.5 mtm180 -56.2 -38.93 71.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.418 0.628 . . . . 5.05 109.98 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.695 ' O ' HG21 ' A' ' 109' ' ' VAL . 79.4 t60 -76.94 -18.59 58.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.343 -0.844 . . . . 1.07 111.236 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.598 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -81.44 -27.49 34.65 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 106.552 -1.647 . . . . 1.53 106.552 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.687 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -83.14 -8.43 59.51 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 112.907 -1.951 . . . . 1.43 111.335 -175.262 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.695 HG21 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -87.06 -21.09 7.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 119.676 -0.809 . . . . 1.58 108.931 172.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.529 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 73.6 m-70 -84.21 -15.88 45.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.289 -0.869 . . . . 1.32 109.791 175.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 p -153.13 57.51 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.22 -0.9 . . . . 2.37 109.917 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.687 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.281 -1.288 . . . . 2.49 112.077 -176.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.034 -0.358 . . . . 4.54 110.034 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.98 119.43 6.42 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.213 2.609 . . . . 2.31 112.061 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.411 ' HB3' HD21 ' A' ' 75' ' ' LEU . 28.6 m-85 -93.12 97.33 10.61 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.524 -1.216 . . . . 2.62 108.319 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.635 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -117.98 143.57 17.77 Favored Glycine 0 N--CA 1.434 -1.459 0 C-N-CA 119.693 -1.241 . . . . 1.42 114.519 -169.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.527 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 3.1 t -69.8 104.05 2.35 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.451 -1.375 . . . . 1.27 109.871 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.06 0.75 5.53 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.625 0.726 . . . . 3.94 110.872 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.527 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 2.3 tt0 -81.86 -46.99 13.36 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.947 -1.024 . . . . 2.13 110.736 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.13 -16.53 6.95 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.546 0.689 . . . . 1.38 110.242 -171.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.97 29.06 12.15 Favored Glycine 0 N--CA 1.435 -1.408 0 CA-C-N 115.105 -0.952 . . . . 1.42 113.921 169.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -110.26 128.98 55.8 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.959 -0.385 . . . . 2.91 109.959 176.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.635 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -105.04 138.7 40.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.086 0.47 . . . . 1.55 111.072 -179.323 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.552 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 61.3 m-85 -115.65 158.17 23.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.786 -0.643 . . . . 1.33 111.501 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -74.34 -40.56 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.048 -0.978 . . . . 4.43 110.825 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 8.3 mp -108.79 154.99 21.28 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.846 -0.615 . . . . 2.44 111.697 -175.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.572 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 21.3 mm -66.59 -42.53 90.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.92 -1.036 . . . . 1.97 109.766 171.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 12.9 m -66.74 -32.2 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.12 0.486 . . . . 2.05 110.407 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.8 mt -59.63 -54.46 46.14 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.711 0.767 . . . . 1.62 111.249 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.9 tp -71.35 -24.08 62.03 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.482 -1.235 . . . . 1.73 109.686 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.572 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -67.63 -41.8 83.3 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.504 -1.225 . . . . 1.34 109.354 176.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.7 mm? -78.07 -19.72 53.7 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.235 -0.893 . . . . 1.24 110.286 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -68.97 -44.7 72.37 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.086 -0.709 . . . . 0.84 109.086 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HD2' HD23 ' A' ' 96' ' ' LEU . 36.4 ttmt -68.66 -40.28 80.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.902 -1.044 . . . . 2.49 108.913 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.786 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.2 ttmt -64.91 -34.83 79.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.017 -0.992 . . . . 1.47 110.768 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -62.42 -38.07 88.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.671 -0.241 . . . . 4.53 111.461 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -61.33 -39.04 89.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 1.17 112.126 -176.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p -105.16 17.6 23.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.928 0.394 . . . . 2.01 111.317 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.42 -55.6 4.97 Favored Glycine 0 CA--C 1.507 -0.423 0 N-CA-C 111.402 -0.679 . . . . 0.77 111.402 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 1.018 ' HG3' ' HE ' ' A' ' 87' ' ' ARG . 1.3 pm0 -140.05 -170.35 2.94 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.569 -0.9 . . . . 2.0 108.569 172.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.477 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -144.85 99.13 3.29 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.532 -0.544 . . . . 1.27 109.532 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 1.018 ' HE ' ' HG3' ' A' ' 85' ' ' GLU . 16.2 mmt85 -92.07 -82.01 0.32 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.458 -0.792 . . . . 2.74 111.137 -170.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.601 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 24.5 m-85 -88.87 156.42 18.94 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.709 -1.132 . . . . 1.36 109.659 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 23.4 ptt180 -127.0 152.55 47.07 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 108.268 -1.012 . . . . 3.96 108.268 167.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.668 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 0.5 OUTLIER -68.97 112.79 5.84 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.247 -1.39 . . . . 0.91 107.247 170.01 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.81 9.34 0.19 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.611 0.641 . . . . 1.6 111.99 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.5 p30 -117.76 -35.17 3.99 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.14 -0.482 . . . . 2.13 111.291 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.6 p -130.04 -0.44 4.69 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.585 0.707 . . . . 1.22 110.441 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.75 34.88 84.28 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 114.915 -1.039 . . . . 1.06 114.377 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.592 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 42.4 mttp -82.48 131.33 35.22 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 110.275 -0.268 . . . . 2.42 110.275 170.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.601 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.2 mm? -92.1 123.88 35.78 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.249 0.547 . . . . 1.4 110.426 -176.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.557 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 56.9 m-85 -121.44 137.07 54.87 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.473 -0.785 . . . . 0.68 110.01 176.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.438 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 73.0 p -87.38 -5.35 58.9 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.334 -0.848 . . . . 1.23 110.107 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.8 m -126.61 128.25 46.5 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.575 -1.193 . . . . 1.34 108.516 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 51.4 p -71.83 -24.65 61.74 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.52 -0.309 . . . . 0.98 110.522 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.496 ' HA2' ' HB3' ' A' ' 104' ' ' LYS . . . -75.42 -38.87 37.31 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.68 -0.771 . . . . 0.76 112.402 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.82 -40.38 92.54 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 107.932 -1.136 . . . . 1.88 107.932 172.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.563 HD21 ' CB ' ' A' ' 88' ' ' TYR . 15.8 tp -63.5 -55.69 22.02 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 113.538 -1.665 . . . . 1.13 109.555 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.557 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 27.6 ttmt -47.14 -51.62 17.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.406 -1.27 . . . . 2.76 112.708 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.453 ' O ' HG12 ' A' ' 109' ' ' VAL . 49.8 mtt180 -57.0 -38.83 73.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.5 0.667 . . . . 5.05 110.007 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.668 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 56.4 t60 -75.54 -16.34 60.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.959 -1.019 . . . . 1.07 111.168 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.557 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.7 mm-40 -85.71 -27.21 25.45 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.204 -1.406 . . . . 1.53 107.204 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.647 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -82.07 -11.4 58.81 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 113.306 -1.77 . . . . 1.43 111.133 -176.117 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 106' ' ' HIS . 10.2 m -82.88 -20.99 9.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 C-N-CA 119.811 -0.756 . . . . 1.58 108.966 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.505 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 65.7 m-70 -84.98 -11.87 54.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.507 -0.769 . . . . 1.32 110.331 176.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.1 t -156.24 53.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.715 . . . . 2.37 109.068 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.647 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.732 -1.038 . . . . 2.49 111.836 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.156 -0.313 . . . . 4.54 110.156 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -80.97 117.41 3.24 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.499 2.133 . . . . 2.31 112.713 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -124.96 91.03 3.35 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.488 -1.233 . . . . 2.62 107.771 171.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.927 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -109.46 147.41 16.99 Favored Glycine 0 N--CA 1.432 -1.61 0 C-N-CA 119.862 -1.161 . . . . 1.42 113.766 -169.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.65 112.31 6.05 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.961 -1.12 . . . . 1.27 109.478 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.3 -1.11 16.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.172 0.51 . . . . 3.94 111.933 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.42 -40.69 9.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.128 0.418 . . . . 2.13 112.128 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 p -121.81 -0.56 9.58 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.018 0.913 . . . . 1.38 109.226 -171.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.74 36.7 92.63 Favored Glycine 0 N--CA 1.436 -1.351 0 CA-C-N 113.903 -1.499 . . . . 1.42 113.394 173.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -110.85 109.61 19.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.81 -0.441 . . . . 2.91 109.81 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.927 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -88.49 143.73 26.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.195 0.521 . . . . 1.55 110.601 -178.482 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.574 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 34.8 m-85 -120.59 166.02 14.22 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.511 -0.768 . . . . 1.33 110.994 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' C ' HD11 ' A' ' 71' ' ' LEU . 21.6 mmm180 -80.89 -41.16 23.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.769 -0.651 . . . . 4.43 111.256 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.544 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -112.07 161.54 16.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 121.101 -0.24 . . . . 2.44 110.385 -179.727 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 9.2 mm -68.48 -42.5 83.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.456 -0.572 . . . . 1.97 109.456 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.419 ' O ' HD22 ' A' ' 77' ' ' LEU . 8.9 m -62.05 -35.73 79.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.082 0.467 . . . . 2.05 110.653 177.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 1.6 mt -56.1 -55.48 32.46 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.671 0.748 . . . . 1.62 111.35 174.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.3 tp -69.26 -25.81 64.46 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 114.547 -1.206 . . . . 1.73 109.904 -178.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -70.49 -36.71 73.99 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.837 -1.074 . . . . 1.34 109.098 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.521 HD11 ' HD2' ' A' ' 80' ' ' LYS . 1.9 mm? -80.6 -19.95 44.36 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.026 -0.988 . . . . 1.24 110.044 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -70.05 -43.09 71.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 0.84 109.466 169.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -70.4 -34.74 72.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.325 -0.852 . . . . 2.49 109.058 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.831 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 27.7 ttmt -66.07 -38.74 89.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.863 -1.062 . . . . 1.47 110.059 171.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -59.96 -40.96 90.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.145 -0.479 . . . . 4.53 111.587 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -57.32 -41.86 80.73 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.886 0.374 . . . . 1.17 111.432 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -95.72 9.36 40.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.133 0.492 . . . . 2.01 110.504 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.88 -58.24 4.92 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.61 -0.996 . . . . 0.77 110.61 -172.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.831 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.0 pm0 -142.15 161.3 38.36 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 108.671 -0.863 . . . . 2.0 108.671 171.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.667 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -114.97 92.85 4.07 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.248 0.547 . . . . 1.27 109.638 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.647 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 30.2 mmm180 -88.02 -92.43 0.11 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.225 -0.898 . . . . 2.74 111.469 -174.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.623 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.8 m-85 -87.38 159.67 18.64 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.288 -0.869 . . . . 1.36 110.052 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 27.2 ptt-85 -126.53 151.71 47.5 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 108.235 -1.024 . . . . 3.96 108.235 166.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.626 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 0.8 OUTLIER -65.14 115.45 5.5 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 107.63 -1.248 . . . . 0.91 107.63 172.362 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.87 12.95 0.11 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.908 0.385 . . . . 1.6 111.702 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.6 p30 -120.54 -37.54 3.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.232 -0.44 . . . . 2.13 111.579 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.457 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.9 p -131.23 4.43 4.38 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.401 0.619 . . . . 1.22 111.027 -173.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.88 34.46 82.96 Favored Glycine 0 C--N 1.333 0.386 0 CA-C-N 115.039 -0.982 . . . . 1.06 114.458 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 49.1 mttp -85.58 129.69 34.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.264 -0.273 . . . . 2.42 110.264 173.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.623 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.4 mm? -87.37 121.2 29.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.195 0.521 . . . . 1.4 110.77 -176.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.565 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 66.1 m-85 -119.18 129.54 55.04 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.446 -0.797 . . . . 0.68 110.089 176.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.647 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 39.9 p -72.44 -12.78 61.24 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.655 -1.157 . . . . 1.23 110.897 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.454 ' HB ' ' ND2' ' A' ' 102' ' ' ASN . 8.7 m -131.34 129.42 41.38 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 114.992 -1.004 . . . . 1.34 108.917 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 22.5 p -68.26 -29.05 67.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.294 -0.412 . . . . 0.98 110.879 -176.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.453 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -70.29 -40.84 69.74 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.963 -0.637 . . . . 0.76 112.468 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.454 ' ND2' ' HB ' ' A' ' 99' ' ' THR . 96.3 m-20 -62.98 -39.02 93.46 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.41 -0.959 . . . . 1.88 108.41 173.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.565 ' HB2' ' HB2' ' A' ' 97' ' ' PHE . 12.4 tp -62.5 -52.18 64.49 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 113.935 -1.484 . . . . 1.13 109.203 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.576 ' O ' HD11 ' A' ' 108' ' ' LEU . 53.5 mttm -48.19 -49.64 32.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.556 -1.202 . . . . 2.76 112.037 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.502 ' O ' HG12 ' A' ' 109' ' ' VAL . 26.3 mmm180 -54.99 -42.97 73.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.1 0.476 . . . . 5.05 110.046 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.626 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 65.9 t60 -73.73 -16.53 61.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.458 -0.792 . . . . 1.07 111.291 178.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.531 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 3.9 mm-40 -83.85 -30.59 26.35 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.507 -1.294 . . . . 1.53 107.507 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -78.18 -22.21 48.99 Favored 'General case' 0 C--O 1.205 -1.271 0 CA-C-N 113.436 -1.711 . . . . 1.43 110.515 -175.243 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.625 HG21 ' O ' ' A' ' 106' ' ' HIS . 5.9 m -72.39 -21.19 20.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 C-N-CA 119.71 -0.796 . . . . 1.58 109.602 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.52 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 68.0 m-70 -83.34 -16.19 47.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.642 -0.708 . . . . 1.32 111.203 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.7 m -150.49 40.24 0.75 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.56 0.695 . . . . 2.37 109.892 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.525 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.307 -1.274 . . . . 2.49 111.946 -172.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.254 -0.276 . . . . 4.54 110.254 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.83 159.21 51.19 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 122.875 2.383 . . . . 2.31 110.881 172.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.418 ' CE2' HG12 ' A' ' 72' ' ' ILE . 64.3 m-85 -125.39 96.3 4.77 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.278 -1.328 . . . . 2.62 108.848 -175.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.984 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -105.95 145.02 15.88 Favored Glycine 0 N--CA 1.428 -1.888 0 C-N-CA 119.915 -1.136 . . . . 1.42 113.597 -169.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.479 ' C ' ' H ' ' A' ' 64' ' ' GLU . 3.6 t -71.37 100.07 2.09 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 113.962 -1.119 . . . . 1.27 109.314 176.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -69.93 3.41 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.866 0.841 . . . . 3.94 110.444 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 62' ' ' CYS . 1.1 tt0 -90.46 -43.07 10.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.39 -1.277 . . . . 2.13 111.446 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.5 p -122.48 -19.12 6.48 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.581 0.705 . . . . 1.38 110.05 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.88 28.43 12.15 Favored Glycine 0 N--CA 1.429 -1.785 0 CA-C-N 114.974 -1.012 . . . . 1.42 113.637 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.57 123.86 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.776 -0.453 . . . . 2.91 109.776 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.984 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -99.82 145.82 27.3 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.378 -0.529 . . . . 1.55 110.76 -178.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.54 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 30.0 m-85 -117.81 160.1 21.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.847 -0.615 . . . . 1.33 111.822 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . 2.9 tpm_? -73.14 -38.14 66.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.057 -0.974 . . . . 4.43 110.964 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.604 ' HG ' HD13 ' A' ' 74' ' ' LEU . 17.6 mt -120.3 168.21 11.5 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.153 0.501 . . . . 2.44 111.177 -175.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.5 mm -70.09 -53.02 25.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.304 -0.862 . . . . 1.97 110.157 175.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 m -60.44 -30.23 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.236 0.541 . . . . 2.05 110.541 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.604 HD13 ' HG ' ' A' ' 71' ' ' LEU . 3.2 mt -59.59 -55.3 36.26 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.589 -0.732 . . . . 1.62 111.949 174.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.4 tp -72.27 -24.55 61.37 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.201 -0.909 . . . . 1.73 109.27 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.1 t-20 -67.37 -38.92 85.52 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.778 -1.101 . . . . 1.34 109.138 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 3.0 mm? -79.99 -19.53 47.59 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.203 -0.908 . . . . 1.24 110.417 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -72.6 -41.22 65.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.65 -0.704 . . . . 0.84 109.369 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -70.09 -40.48 74.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.731 -0.84 . . . . 2.49 108.731 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 1.053 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.9 ttmt -65.85 -22.78 66.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.503 -1.226 . . . . 1.47 110.618 174.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -75.39 -24.87 57.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 4.53 111.506 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -82.31 -51.13 8.2 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.431 0.53 . . . . 1.17 112.431 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.4 t -104.33 30.95 4.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.932 0.396 . . . . 2.01 111.53 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.15 -53.72 4.79 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.173 -0.771 . . . . 0.77 111.173 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 1.053 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 7.8 pt-20 -165.65 145.97 6.76 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.069 0.462 . . . . 2.0 109.795 172.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.82 99.46 12.46 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.732 0.777 . . . . 1.27 110.646 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.806 ' HD2' ' HA ' ' A' ' 98' ' ' THR . 97.7 mtt180 -89.26 -96.76 0.1 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.645 -1.162 . . . . 2.74 112.879 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 40.5 m-85 -83.68 151.85 25.05 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 113.416 -1.72 . . . . 1.36 109.936 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.61 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 36.5 ptt180 -123.48 152.58 41.54 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 120.05 -0.66 . . . . 3.96 109.466 166.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.472 ' C ' ' H ' ' A' ' 92' ' ' ASP . 41.9 t -58.18 116.59 3.66 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.789 -1.189 . . . . 0.91 107.789 170.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -76.48 16.2 0.51 Allowed 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.272 0.558 . . . . 1.6 110.27 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 90' ' ' CYS . 3.0 t70 -120.76 -39.17 2.76 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.743 -0.662 . . . . 2.13 111.018 175.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.693 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 14.7 p -125.79 -19.07 4.98 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 119.23 -0.988 . . . . 1.22 111.607 -177.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 93.22 34.77 6.57 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 114.381 0.512 . . . . 1.06 114.381 169.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.693 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 65.5 mttt -87.01 134.24 33.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.085 -0.339 . . . . 2.42 110.085 174.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.649 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -88.11 123.03 32.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.153 0.501 . . . . 1.4 110.734 -176.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.524 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 81.3 m-85 -118.29 143.21 46.76 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.379 -0.828 . . . . 0.68 110.212 175.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.806 ' HA ' ' HD2' ' A' ' 87' ' ' ARG . 42.8 p -89.02 -11.69 43.47 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.067 -0.969 . . . . 1.23 110.091 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.521 ' HB ' HD21 ' A' ' 102' ' ' ASN . 53.6 m -120.71 127.78 52.34 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.093 -0.958 . . . . 1.34 108.906 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.571 ' O ' ' HB3' ' A' ' 104' ' ' LYS . 18.6 p -72.22 -23.75 61.28 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.445 -0.343 . . . . 0.98 110.489 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.665 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -73.43 -42.3 41.87 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.734 -0.746 . . . . 0.76 112.602 174.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.521 HD21 ' HB ' ' A' ' 99' ' ' THR . 36.4 m-80 -63.0 -34.54 77.78 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.176 -1.046 . . . . 1.88 108.176 173.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.625 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 10.9 tp -66.96 -52.67 39.96 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-N 114.333 -1.303 . . . . 1.13 109.928 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 101' ' ' GLY . 36.4 pttt -58.54 -42.06 86.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.336 -1.302 . . . . 2.76 111.593 -175.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.665 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 42.6 mtm180 -63.2 -35.73 81.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 5.05 109.583 176.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.646 ' CE1' ' HD2' ' A' ' 95' ' ' LYS . 58.5 t60 -73.32 -17.78 61.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.634 -1.166 . . . . 1.07 111.256 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 12.7 mm-40 -85.28 -27.58 25.89 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.778 -1.193 . . . . 1.53 107.778 178.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.631 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -82.97 -13.16 56.52 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 113.358 -1.746 . . . . 1.43 111.019 -175.757 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.615 HG21 ' O ' ' A' ' 106' ' ' HIS . 11.3 m -81.08 -19.47 11.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 N-CA-C 108.79 -0.818 . . . . 1.58 108.79 173.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -86.45 -12.23 49.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.361 -0.836 . . . . 1.32 110.677 176.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.6 p -153.18 47.61 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.574 0.702 . . . . 2.37 109.84 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.631 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.659 -1.078 . . . . 2.49 112.178 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.595 ' HD2' ' HD2' ' A' ' 59' ' ' PRO . 24.2 tptm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.038 -0.356 . . . . 4.54 110.038 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.595 ' HD2' ' HD2' ' A' ' 58' ' ' LYS . 86.9 Cg_endo -82.08 119.23 3.13 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.947 2.431 . . . . 2.31 112.83 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.485 ' HB3' HD22 ' A' ' 75' ' ' LEU . 45.0 m-85 -123.3 100.86 7.05 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.456 -1.247 . . . . 2.62 108.49 171.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.655 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -114.13 144.66 18.33 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 119.983 -1.103 . . . . 1.42 113.471 -171.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.2 t -60.42 124.84 21.55 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.226 -0.987 . . . . 1.27 109.911 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.78 -11.1 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.481 0.658 . . . . 3.94 110.25 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.441 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -92.17 -40.35 11.06 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.402 -0.817 . . . . 2.13 112.128 -172.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.441 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 18.3 p -118.19 -25.67 6.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.868 0.842 . . . . 1.38 109.665 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.85 20.9 35.22 Favored Glycine 0 N--CA 1.429 -1.796 0 CA-C-N 114.593 -1.185 . . . . 1.42 113.366 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.74 122.54 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.799 -0.445 . . . . 2.91 109.799 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.655 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -91.29 142.18 27.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 1.55 111.646 -177.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.51 ' CD2' HD23 ' A' ' 74' ' ' LEU . 54.4 m-85 -123.34 161.48 24.59 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.528 -0.76 . . . . 1.33 110.268 175.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.05 -36.08 17.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.768 -0.651 . . . . 4.43 110.271 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 2.7 mp -102.37 150.92 22.86 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.619 -0.719 . . . . 2.44 110.683 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 10.7 mm -65.57 -46.95 88.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 1.97 110.121 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 54.9 m -65.97 -27.87 68.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 2.05 110.64 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 2.0 mt -60.02 -54.7 42.87 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.711 0.767 . . . . 1.62 111.309 174.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 60' ' ' TYR . 11.5 tp -69.64 -27.25 64.9 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.46 -1.245 . . . . 1.73 109.976 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -69.49 -37.75 77.36 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.499 -1.228 . . . . 1.34 108.967 179.419 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.707 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 0.7 OUTLIER -76.99 -28.84 55.24 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 115.134 -0.939 . . . . 1.24 110.021 177.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.414 ' HA ' ' HG2' ' A' ' 81' ' ' ARG . 48.4 t60 -61.47 -41.76 97.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.84 109.745 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.742 ' HG2' HD22 ' A' ' 96' ' ' LEU . 1.2 tppp? -71.45 -26.57 62.78 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.63 -0.878 . . . . 2.49 108.63 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.692 ' HE2' ' H ' ' A' ' 86' ' ' ALA . 32.0 ttmt -70.38 -38.92 74.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.223 -0.898 . . . . 1.47 110.086 171.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.707 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 38.0 mmt180 -54.41 -47.45 72.76 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.845 0.355 . . . . 4.53 111.411 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -62.99 -22.13 66.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.642 -0.708 . . . . 1.17 112.777 -173.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.5 m -117.01 12.2 14.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.032 0.444 . . . . 2.01 110.663 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.71 -53.96 4.35 Favored Glycine 0 N--CA 1.453 -0.206 0 N-CA-C 111.405 -0.678 . . . . 0.77 111.405 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.577 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.3 pt-20 -135.01 169.17 17.83 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 107.544 -1.28 . . . . 2.0 107.544 176.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.692 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -124.0 101.07 7.04 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.524 -0.547 . . . . 1.27 109.524 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.576 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.3 mmm180 -90.16 -80.71 0.31 Allowed 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.71 -0.677 . . . . 2.74 110.92 -174.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.615 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.9 m-85 -97.17 151.41 19.85 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.837 -1.074 . . . . 1.36 111.414 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.54 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 38.2 mtt180 -109.87 155.22 21.96 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.611 -0.885 . . . . 3.96 108.611 168.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.513 ' C ' ' H ' ' A' ' 92' ' ' ASP . 9.4 t -74.03 114.11 11.97 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 105.935 -1.876 . . . . 0.91 105.935 158.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.59 0.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.114 0.415 . . . . 1.6 111.408 -176.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -108.92 -40.92 4.87 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 116.432 -0.349 . . . . 2.13 110.716 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 3.6 p -131.42 1.77 4.15 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 119.248 -0.981 . . . . 1.22 111.245 -170.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.92 39.22 95.24 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.309 -0.86 . . . . 1.06 113.585 171.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.648 ' HD2' ' CE1' ' A' ' 106' ' ' HIS . 85.0 mttt -80.43 131.25 35.56 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.286 -1.005 . . . . 2.42 108.286 166.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.742 HD22 ' HG2' ' A' ' 79' ' ' LYS . 4.1 mm? -96.53 114.55 26.22 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.221 0.534 . . . . 1.4 110.489 -174.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.53 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 58.6 m-85 -110.44 136.46 49.55 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 121.578 0.704 . . . . 0.68 110.182 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.576 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 71.3 p -81.7 -8.21 59.68 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.699 -1.137 . . . . 1.23 110.276 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 101' ' ' GLY . 40.7 m -132.12 128.72 38.72 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.699 -1.137 . . . . 1.34 109.284 176.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 5.3 p -66.91 -25.07 66.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.805 -0.634 . . . . 0.98 110.906 -177.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.634 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -73.04 -46.28 28.86 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.903 -0.665 . . . . 0.76 112.264 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -56.01 -39.4 71.84 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.599 -0.889 . . . . 1.88 108.599 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.559 HD23 ' CB ' ' A' ' 88' ' ' TYR . 16.0 tp -63.53 -52.2 62.18 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-N 113.863 -1.517 . . . . 1.13 109.502 178.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.601 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 24.2 ttpp -50.93 -45.92 60.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.265 -1.334 . . . . 2.76 111.913 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 101' ' ' GLY . 27.8 mmt180 -56.57 -42.27 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 5.05 109.251 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.672 ' O ' HG21 ' A' ' 109' ' ' VAL . 79.7 t60 -75.76 -16.94 60.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.631 -1.168 . . . . 1.07 111.949 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.601 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 3.1 mm-40 -82.26 -27.13 32.6 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 106.733 -1.58 . . . . 1.53 106.733 -178.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -80.41 -25.85 38.82 Favored 'General case' 0 C--O 1.2 -1.536 0 CA-C-N 112.914 -1.948 . . . . 1.43 110.614 -177.377 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.672 HG21 ' O ' ' A' ' 106' ' ' HIS . 4.6 m -70.15 -22.92 24.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 C-N-CA 119.525 -0.87 . . . . 1.58 109.558 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.47 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 81.1 m-70 -88.56 -4.48 58.58 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.862 -0.608 . . . . 1.32 111.272 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -155.73 38.15 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.963 0.887 . . . . 2.37 109.2 -177.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.919 0 CA-C-O 118.639 -1.089 . . . . 2.49 111.803 -172.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.179 -0.304 . . . . 4.54 110.179 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.23 118.8 5.72 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 123.055 2.503 . . . . 2.31 111.353 173.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.61 ' CD2' HD13 ' A' ' 72' ' ' ILE . 3.8 m-30 -116.53 116.11 27.02 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 114.103 -1.408 . . . . 2.62 109.252 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.644 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -124.74 142.35 13.87 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 119.237 -1.458 . . . . 1.42 114.646 -171.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -63.45 123.47 18.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.798 -1.201 . . . . 1.27 110.017 177.094 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.51 -12.06 60.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.827 0.346 . . . . 3.94 111.739 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -35.34 11.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.123 0.786 . . . . 2.13 113.123 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 4.2 p -119.94 -3.05 10.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.917 0.865 . . . . 1.38 108.995 -174.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.12 37.77 95.03 Favored Glycine 0 N--CA 1.436 -1.358 0 CA-C-N 113.785 -1.552 . . . . 1.42 113.804 173.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -110.54 114.7 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.162 -0.31 . . . . 2.91 110.162 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.644 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -93.8 135.38 35.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.308 0.575 . . . . 1.55 111.047 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.76 ' HH ' ' HD1' ' A' ' 78' ' ' HIS . 37.0 m-85 -113.64 147.78 37.47 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.35 -0.841 . . . . 1.33 111.099 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -72.99 -38.38 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.624 -1.171 . . . . 4.43 111.108 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.857 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 3.9 mp -102.73 146.62 27.96 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.9 0.381 . . . . 2.44 110.208 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.61 HD13 ' CD2' ' A' ' 60' ' ' TYR . 5.1 mm -71.28 -39.2 72.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.929 -0.578 . . . . 1.97 109.652 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 15.4 m -70.9 -26.78 63.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.36 0.6 . . . . 2.05 110.066 176.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.857 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -61.14 -54.96 37.91 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.699 -0.682 . . . . 1.62 110.784 173.566 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.6 tp -68.94 -27.77 66.04 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.415 -0.811 . . . . 1.73 109.765 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.6 t-20 -64.83 -37.78 88.78 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.12 -0.945 . . . . 1.34 109.646 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.469 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.7 mm? -81.51 -19.94 41.14 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.601 -0.727 . . . . 1.24 110.571 177.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.76 ' HD1' ' HH ' ' A' ' 69' ' ' TYR . 66.0 t60 -71.03 -41.4 70.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.759 -0.655 . . . . 0.84 109.711 171.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.55 ' HD3' ' CD2' ' A' ' 96' ' ' LEU . 13.7 ptpt -80.37 -24.17 39.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.171 -0.468 . . . . 2.49 109.93 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.813 ' HE2' ' H ' ' A' ' 86' ' ' ALA . 30.2 ttmt -69.14 -37.12 78.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 1.47 109.664 168.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' HD3' ' C ' ' A' ' 81' ' ' ARG . 3.6 tmt_? -58.26 -49.95 75.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 4.53 111.738 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -63.41 -36.7 84.61 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.073 0.397 . . . . 1.17 112.073 -175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.3 m -88.56 -3.86 58.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.816 0.341 . . . . 2.01 110.955 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 91.11 -51.13 3.12 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 110.719 -0.952 . . . . 0.77 110.719 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.711 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 3.6 pt-20 -146.15 164.94 30.62 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 107.37 -1.345 . . . . 2.0 107.37 173.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.813 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -118.63 89.69 3.18 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.212 0.529 . . . . 1.27 110.131 -178.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.55 ' HD3' ' OE1' ' A' ' 85' ' ' GLU . 10.1 mmm180 -87.51 -81.13 0.24 Allowed 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.363 -0.835 . . . . 2.74 110.996 -176.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.552 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.5 m-85 -93.83 153.6 18.19 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.122 -0.944 . . . . 1.36 110.006 176.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 32.5 ptt180 -123.91 152.4 42.46 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 108.572 -0.899 . . . . 3.96 108.572 167.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.5 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 3.0 t -63.43 114.6 3.97 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.386 -1.339 . . . . 0.91 107.386 171.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.95 6.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.123 0.416 . . . . 1.6 112.123 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 90' ' ' CYS . 5.4 p30 -120.37 -32.99 3.98 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.625 -0.43 . . . . 2.13 111.97 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.936 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 7.8 p -129.06 -8.72 4.85 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 119.404 -0.918 . . . . 1.22 111.031 -174.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.47 35.7 40.97 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.423 -0.808 . . . . 1.06 113.52 169.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.936 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 73.7 mttt -89.34 130.72 35.67 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.774 -0.454 . . . . 2.42 109.774 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.552 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.5 mm? -91.51 120.61 32.47 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.145 0.497 . . . . 1.4 111.442 -172.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.551 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 82.0 m-85 -118.8 133.08 56.09 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.283 -0.871 . . . . 0.68 109.389 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.505 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 27.8 p -78.76 -9.5 59.46 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.547 -0.751 . . . . 1.23 109.978 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.457 ' HB ' ' ND2' ' A' ' 102' ' ' ASN . 48.0 m -127.36 129.64 47.97 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.709 -1.132 . . . . 1.34 109.604 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 52.2 p -68.06 -27.63 66.68 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.132 -0.485 . . . . 0.98 111.214 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.528 ' HA2' ' HB3' ' A' ' 104' ' ' LYS . . . -75.51 -39.15 36.07 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.757 -0.735 . . . . 0.76 112.514 174.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.457 ' ND2' ' HB ' ' A' ' 99' ' ' THR . 95.0 m-20 -60.17 -41.26 92.48 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 108.29 -1.004 . . . . 1.88 108.29 172.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.551 ' HB2' ' HB2' ' A' ' 97' ' ' PHE . 16.3 tp -63.15 -55.89 21.39 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 113.859 -1.519 . . . . 1.13 109.508 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.555 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 27.7 ttmt -43.97 -53.15 6.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.322 -1.308 . . . . 2.76 112.728 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.569 ' O ' HG11 ' A' ' 109' ' ' VAL . 38.3 ptt180 -62.17 -31.8 72.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.168 -0.613 . . . . 5.05 110.533 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.668 ' O ' HG21 ' A' ' 109' ' ' VAL . 73.3 t60 -76.92 -17.82 58.68 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.164 0.507 . . . . 1.07 110.917 174.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.555 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.7 mm-40 -84.3 -25.47 29.27 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.089 -1.448 . . . . 1.53 107.089 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -81.7 -15.28 54.94 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 113.177 -1.828 . . . . 1.43 110.93 -177.107 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 106' ' ' HIS . 7.0 m -83.99 -20.45 8.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 C-N-CA 119.661 -0.816 . . . . 1.58 109.372 176.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.446 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 43.9 m-70 -83.69 -15.15 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.693 . . . . 1.32 110.523 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 t -160.54 55.14 0.32 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.415 0.626 . . . . 2.37 109.547 -176.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.707 -1.052 . . . . 2.49 112.487 -176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.01 -0.367 . . . . 4.54 110.01 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.9 117.6 4.9 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.754 2.303 . . . . 2.31 112.651 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.457 ' HB3' HD23 ' A' ' 75' ' ' LEU . 22.1 m-85 -106.29 102.03 11.46 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 114.176 -1.374 . . . . 2.62 107.987 170.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.676 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -113.53 150.74 18.49 Favored Glycine 0 N--CA 1.431 -1.695 0 C-N-CA 119.439 -1.362 . . . . 1.42 114.15 -168.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 2.5 t -73.23 99.9 2.97 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 113.718 -1.241 . . . . 1.27 108.067 171.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.47 -5.43 23.89 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.945 0.879 . . . . 3.94 109.683 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.4 tt0 -76.21 -43.86 40.38 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.194 -1.366 . . . . 2.13 110.806 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.2 p -123.84 -19.41 5.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.457 0.646 . . . . 1.38 110.037 -173.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.41 31.61 8.26 Favored Glycine 0 N--CA 1.433 -1.511 0 CA-C-N 115.196 -0.911 . . . . 1.42 114.065 170.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -111.01 121.38 45.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.795 0.298 . . . . 2.91 110.272 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.676 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -93.28 139.08 31.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.164 0.507 . . . . 1.55 111.683 -178.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.528 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 48.2 m-85 -115.97 168.32 10.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.61 -0.723 . . . . 1.33 110.546 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -87.75 -41.82 13.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.506 -0.316 . . . . 4.43 110.946 -177.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.521 HD23 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -106.61 159.63 16.05 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.134 -0.227 . . . . 2.44 110.698 -176.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 25.0 mm -65.39 -48.07 84.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.617 -0.265 . . . . 1.97 110.402 175.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 8.5 t -65.51 -28.43 69.18 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-O 120.976 0.417 . . . . 2.05 110.513 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 1.5 mt -57.07 -57.42 12.63 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.999 0.904 . . . . 1.62 111.024 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.457 HD23 ' HB3' ' A' ' 60' ' ' TYR . 9.9 tp -69.71 -25.99 64.13 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 113.915 -1.493 . . . . 1.73 109.805 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.6 t-20 -70.62 -35.73 73.1 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.284 -1.326 . . . . 1.34 109.243 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.526 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.1 mm? -79.98 -23.78 41.37 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.607 -0.724 . . . . 1.24 110.22 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -69.26 -41.3 77.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.452 -0.794 . . . . 0.84 109.243 170.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -71.23 -39.88 71.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.307 -0.861 . . . . 2.49 108.818 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.998 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 28.6 ttmt -58.54 -40.87 84.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.787 -1.097 . . . . 1.47 110.182 172.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -58.07 -45.38 87.21 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.485 -0.325 . . . . 4.53 111.467 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -65.22 -35.95 82.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.389 -0.369 . . . . 1.17 111.285 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.7 m -101.05 17.32 22.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.523 -0.308 . . . . 2.01 111.526 -173.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.67 -62.87 3.49 Favored Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 111.195 -0.762 . . . . 0.77 111.195 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.998 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 8.3 pt-20 -154.37 134.87 13.44 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 109.089 -0.708 . . . . 2.0 109.089 174.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.458 ' HB3' ' HG ' ' A' ' 96' ' ' LEU . . . -80.11 90.69 5.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.025 -0.534 . . . . 1.27 110.75 -177.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.634 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.5 mmm180 -85.44 -86.33 0.14 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.673 -0.694 . . . . 2.74 111.682 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.661 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.0 m-85 -93.72 154.03 18.02 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.745 -1.116 . . . . 1.36 110.651 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.595 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.7 mtt180 -111.76 153.86 25.89 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 108.831 -0.803 . . . . 3.96 108.831 167.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.711 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 2.4 t -67.47 111.38 4.07 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 106.199 -1.778 . . . . 0.91 106.199 164.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.3 1.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.138 0.421 . . . . 1.6 112.138 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.9 p30 -114.74 -33.17 5.58 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.695 -0.229 . . . . 2.13 111.595 -177.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.882 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.5 p -130.73 -16.48 3.33 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 119.178 -1.009 . . . . 1.22 111.549 -174.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 88.42 27.1 26.02 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 116.511 -0.313 . . . . 1.06 112.856 169.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.882 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 68.3 mttt -81.66 138.64 35.26 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.209 -0.293 . . . . 2.42 110.209 175.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.661 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.6 mm? -94.31 122.71 37.14 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.386 0.612 . . . . 1.4 111.445 -173.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.557 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 82.1 m-85 -121.44 135.92 55.01 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.41 -0.814 . . . . 0.68 110.013 176.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.634 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 46.6 p -80.83 -6.42 58.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.515 -0.766 . . . . 1.23 110.608 -176.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 101' ' ' GLY . 3.6 m -138.54 129.77 27.16 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 114.871 -1.059 . . . . 1.34 109.336 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.607 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 13.7 p -66.04 -25.46 67.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 0.98 111.385 -177.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.412 ' N ' HG22 ' A' ' 99' ' ' THR . . . -71.29 -43.61 54.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.76 112.455 175.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -61.71 -38.91 89.62 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 108.745 -0.835 . . . . 1.88 108.745 172.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.554 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 16.8 tp -61.13 -49.64 76.46 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-N 114.162 -1.381 . . . . 1.13 108.919 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.563 ' O ' HD13 ' A' ' 108' ' ' LEU . 27.1 ttpp -51.63 -46.78 63.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.067 -1.424 . . . . 2.76 111.804 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.413 ' O ' HG13 ' A' ' 109' ' ' VAL . 40.9 mmt180 -54.2 -45.51 72.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.754 0.787 . . . . 5.05 109.924 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.711 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 43.1 t60 -74.16 -16.1 61.0 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.558 -1.201 . . . . 1.07 111.239 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 4.9 mm-40 -83.25 -29.74 28.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.52 -1.289 . . . . 1.53 107.52 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.599 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -77.59 -18.15 57.13 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 113.406 -1.724 . . . . 1.43 110.787 -176.602 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.4 m -78.48 -22.62 13.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 C-N-CA 119.557 -0.857 . . . . 1.58 109.497 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.472 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 66.9 m-70 -88.31 -7.68 56.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.813 -0.63 . . . . 1.32 110.685 176.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.4 p -152.29 44.86 0.72 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.543 0.687 . . . . 2.37 109.761 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.599 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.744 -1.031 . . . . 2.49 111.968 -174.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 68.3 mttm . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.736 -0.468 . . . . 4.54 109.736 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 17.2 Cg_exo -66.65 116.75 4.26 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.284 1.989 . . . . 2.31 111.353 177.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.47 ' CE2' HG12 ' A' ' 72' ' ' ILE . 41.0 m-85 -121.35 85.61 2.43 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.906 -1.146 . . . . 2.62 107.906 174.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.999 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -105.24 144.95 15.84 Favored Glycine 0 N--CA 1.427 -1.957 0 C-N-CA 120.097 -1.049 . . . . 1.42 113.031 -170.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.551 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -71.72 99.15 2.07 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 108.202 -1.036 . . . . 1.27 108.202 173.501 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -66.17 -3.75 6.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.205 0.526 . . . . 3.94 111.648 -176.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.03 -39.73 15.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.689 -0.687 . . . . 2.13 111.629 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -119.72 -6.28 10.15 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.879 0.847 . . . . 1.38 109.268 -172.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.39 25.94 67.01 Favored Glycine 0 N--CA 1.429 -1.804 0 CA-C-N 114.283 -1.326 . . . . 1.42 113.579 171.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HZ1' ' HB3' ' A' ' 67' ' ' LYS . 8.6 mtpm? -104.42 109.67 21.63 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.694 -0.484 . . . . 2.91 109.694 175.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.999 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -89.95 142.61 27.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.943 0.401 . . . . 1.55 110.327 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.552 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 41.4 m-85 -120.7 152.53 38.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.412 0.625 . . . . 1.33 111.251 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 7.5 ttp180 -72.99 -39.93 65.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.628 -1.169 . . . . 4.43 111.022 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.724 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 5.3 mp -106.14 152.55 23.29 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.965 -0.561 . . . . 2.44 111.386 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.592 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.0 mm -66.67 -41.07 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.805 -0.634 . . . . 1.97 109.445 172.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.522 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 13.5 p -68.57 -29.06 67.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.401 0.619 . . . . 2.05 110.833 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.724 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.7 mt -62.34 -54.57 38.59 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 121.596 0.712 . . . . 1.62 111.323 174.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.0 tp -69.52 -25.21 63.92 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.819 -1.082 . . . . 1.73 109.344 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.592 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -63.11 -43.86 97.25 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.275 -1.329 . . . . 1.34 109.585 177.408 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 3.8 mm? -77.95 -22.07 50.08 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.491 -0.777 . . . . 1.24 110.568 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.77 -37.82 73.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.006 -0.739 . . . . 0.84 109.006 170.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.486 ' HE3' HD23 ' A' ' 96' ' ' LEU . 14.6 tppt? -69.14 -37.03 78.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.847 -0.797 . . . . 2.49 108.847 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 1.063 ' HG2' ' HA ' ' A' ' 85' ' ' GLU . 73.6 mttt -62.58 -31.42 72.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.783 -1.099 . . . . 1.47 110.776 173.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -62.82 -41.04 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.894 -0.593 . . . . 4.53 110.86 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -82.59 -51.72 7.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.55 -0.295 . . . . 1.17 111.735 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -113.07 30.8 6.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.487 0.551 . . . . 2.01 112.487 -167.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.71 -58.33 4.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.852 -0.689 . . . . 0.77 112.659 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 1.063 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 7.9 pt-20 -166.01 142.43 5.11 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.226 0.536 . . . . 2.0 110.273 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.496 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -82.12 83.4 7.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.64 -0.709 . . . . 1.27 110.75 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.504 ' HG2' ' HG3' ' A' ' 85' ' ' GLU . 26.3 mmm180 -82.55 -90.91 0.07 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.636 -0.711 . . . . 2.74 111.719 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.706 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 21.4 m-85 -88.3 146.06 25.51 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.931 -1.031 . . . . 1.36 110.326 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.659 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 37.4 mtt85 -105.47 153.62 21.46 Favored 'General case' 0 CA--C 1.492 -1.288 0 N-CA-C 108.598 -0.89 . . . . 3.96 108.598 169.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.612 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 7.6 t -71.63 108.27 4.9 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 106.064 -1.828 . . . . 0.91 106.064 164.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.98 14.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.37 0.507 . . . . 1.6 112.37 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 90' ' ' CYS . 2.1 p30 -120.24 -38.03 2.98 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.493 -0.321 . . . . 2.13 111.372 173.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.716 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 11.4 p -130.27 -8.34 4.26 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 119.629 -0.828 . . . . 1.22 111.677 -173.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.65 39.09 35.54 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.814 -0.63 . . . . 1.06 114.106 170.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.716 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 28.7 mtpt -81.99 144.83 30.61 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.472 -0.936 . . . . 2.42 108.472 169.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.706 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.9 mm? -104.52 106.01 16.34 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.445 -0.502 . . . . 1.4 110.99 -174.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.53 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 80.2 m-85 -103.26 135.73 44.35 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.557 -0.747 . . . . 0.68 109.742 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.9 p -80.22 -11.66 59.71 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.228 -0.896 . . . . 1.23 110.022 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.7 m -121.88 128.03 51.14 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.863 -1.062 . . . . 1.34 109.44 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.583 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 13.3 p -67.22 -33.78 76.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.223 -0.444 . . . . 0.98 110.313 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.42 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -66.71 -42.95 92.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.906 -0.664 . . . . 0.76 112.303 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.69 -36.09 82.72 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 108.656 -0.868 . . . . 1.88 108.656 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 88' ' ' TYR . 11.2 tp -65.18 -51.11 63.07 Favored 'General case' 0 N--CA 1.422 -1.871 0 CA-C-N 114.01 -1.45 . . . . 1.13 109.225 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.563 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 26.6 mtpp -54.64 -42.54 71.37 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.262 -1.336 . . . . 2.76 111.688 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.5 ' O ' HG12 ' A' ' 109' ' ' VAL . 41.5 mmt180 -55.33 -45.42 76.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.889 0.376 . . . . 5.05 109.996 175.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.682 ' O ' HG21 ' A' ' 109' ' ' VAL . 77.0 t60 -72.34 -17.56 61.83 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.898 -0.592 . . . . 1.07 111.808 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.582 ' NE2' ' HA ' ' A' ' 90' ' ' CYS . 8.0 mm-40 -79.4 -29.21 41.92 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.119 -1.437 . . . . 1.53 107.119 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -78.24 -33.06 49.99 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-N 113.274 -1.785 . . . . 1.43 110.001 -177.125 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.682 HG21 ' O ' ' A' ' 106' ' ' HIS . 4.4 m -64.44 -21.5 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 C-N-CA 120.291 -0.564 . . . . 1.58 109.691 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 34.6 m-70 -76.49 -14.85 60.01 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.846 -0.616 . . . . 1.32 112.107 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.6 p -158.18 33.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.498 0.666 . . . . 2.37 110.492 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 N--CA 1.44 -1.044 0 CA-C-O 118.709 -1.051 . . . . 2.49 112.083 -172.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.3 pttt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.195 -0.298 . . . . 4.54 110.195 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.78 123.03 12.71 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.465 2.777 . . . . 2.31 112.442 174.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' A' ' 72' ' ' ILE . 61.7 m-85 -102.43 101.06 11.24 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 113.728 -1.578 . . . . 2.62 108.803 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.622 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -102.92 145.59 16.36 Favored Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 119.755 -1.212 . . . . 1.42 113.212 -173.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.525 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -61.02 154.94 21.36 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.068 -1.066 . . . . 1.27 112.157 -175.403 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -74.45 -37.3 63.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.559 -1.201 . . . . 3.94 111.023 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.477 ' OE1' ' SG ' ' A' ' 62' ' ' CYS . 1.5 pm0 -100.75 -40.74 7.19 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.588 0.588 . . . . 2.13 112.588 -167.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.2 p -109.3 -14.65 14.42 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.401 1.096 . . . . 1.38 108.241 -171.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 60.55 34.19 84.83 Favored Glycine 0 N--CA 1.432 -1.591 0 CA-C-N 113.033 -1.894 . . . . 1.42 114.588 171.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 61' ' ' GLY . 96.3 mttt -86.5 128.74 34.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.235 -0.654 . . . . 2.91 109.235 173.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.622 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.06 131.1 34.79 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.926 0.87 . . . . 1.55 112.26 -176.47 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.662 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 39.5 m-85 -122.86 129.72 51.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.428 -1.26 . . . . 1.33 109.867 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -74.55 -18.07 60.64 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.289 -0.564 . . . . 4.43 112.233 -174.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.534 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -105.2 150.45 25.08 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.356 -0.538 . . . . 2.44 110.404 170.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.537 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.0 mm -69.49 -42.44 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 1.97 109.649 175.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.2 m -61.11 -38.98 88.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 2.05 110.525 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.662 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 3.8 mt -51.12 -57.05 9.72 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.443 -0.798 . . . . 1.62 111.824 173.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 16.3 tp -70.4 -26.17 63.57 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 114.443 -1.253 . . . . 1.73 109.848 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -72.57 -39.34 67.5 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.224 -1.353 . . . . 1.34 109.322 -178.621 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.5 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -80.6 -19.58 45.2 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.413 -0.812 . . . . 1.24 110.062 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -73.72 -41.22 62.85 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.348 -0.842 . . . . 0.84 109.96 172.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 76' ' ' ASN . 16.8 ptpt -78.1 -29.02 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.126 -0.694 . . . . 2.49 109.126 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.923 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 29.8 ttmt -62.41 -38.08 88.28 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.162 -0.926 . . . . 1.47 109.65 169.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 81' ' ' ARG . 17.6 ttt180 -63.6 -34.71 78.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.547 -0.751 . . . . 4.53 111.856 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -65.91 -25.24 67.06 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.8 0.296 . . . . 1.17 111.8 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m -119.06 16.68 13.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.808 0.337 . . . . 2.01 111.066 -176.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.44 -50.15 4.16 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.664 -0.779 . . . . 0.77 111.499 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.923 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -150.24 -179.93 7.59 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 108.774 -0.824 . . . . 2.0 108.774 173.312 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.704 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -133.4 98.99 4.38 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.598 -0.89 . . . . 1.27 108.598 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.567 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 9.4 mmm180 -91.44 -82.35 0.3 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.443 0.639 . . . . 2.74 111.613 -170.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.595 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 14.3 m-85 -91.44 159.72 15.82 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.01 -0.996 . . . . 1.36 110.174 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.583 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 27.7 ptt180 -126.75 154.02 44.76 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.991 -0.744 . . . . 3.96 108.991 168.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.485 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 5.5 t -64.03 131.89 48.95 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.12 -1.067 . . . . 0.91 108.12 173.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -75.83 5.73 5.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.934 0.397 . . . . 1.6 111.048 -174.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.466 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.7 p30 -120.56 -42.56 2.53 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.36 -0.382 . . . . 2.13 111.85 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.0 p -126.42 3.67 6.95 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.452 0.644 . . . . 1.22 110.178 -168.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.02 36.69 91.13 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 114.867 -1.061 . . . . 1.06 114.526 171.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 83.9 mttt -81.59 131.86 35.29 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.839 -0.43 . . . . 2.42 109.839 171.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.595 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -91.14 121.9 33.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.208 0.528 . . . . 1.4 110.732 -175.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.553 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 54.1 m-85 -120.0 135.17 55.02 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.399 -0.819 . . . . 0.68 109.915 176.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.548 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 79.3 p -80.12 -11.03 59.79 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.093 -0.958 . . . . 1.23 110.554 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.1 m -128.89 129.01 44.97 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.914 -1.039 . . . . 1.34 109.106 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 5.9 p -68.05 -26.0 65.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.718 -0.673 . . . . 0.98 110.996 -175.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -72.28 -44.77 42.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.121 -0.561 . . . . 0.76 112.531 175.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -59.36 -38.3 80.08 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 108.331 -0.988 . . . . 1.88 108.331 173.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.583 HD23 ' CB ' ' A' ' 88' ' ' TYR . 14.0 tp -63.02 -51.09 68.13 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-N 114.007 -1.451 . . . . 1.13 109.589 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.446 ' O ' HD13 ' A' ' 108' ' ' LEU . 24.2 ttmm -54.53 -46.14 73.5 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 114.23 -1.35 . . . . 2.76 111.305 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.581 ' O ' HG11 ' A' ' 109' ' ' VAL . 46.1 mtt180 -56.42 -41.86 77.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.137 0.494 . . . . 5.05 109.815 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.681 ' O ' HG21 ' A' ' 109' ' ' VAL . 72.0 t60 -72.35 -18.1 61.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.629 -0.714 . . . . 1.07 111.344 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 13.1 mm-40 -82.73 -26.74 31.68 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.657 -1.238 . . . . 1.53 107.657 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.462 HD21 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -80.55 -29.0 37.14 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 113.584 -1.643 . . . . 1.43 110.041 -178.303 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.681 HG21 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -65.29 -21.93 30.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 C-N-CA 119.861 -0.736 . . . . 1.58 109.393 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.544 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 57.3 m-70 -83.16 -1.8 53.86 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.882 -0.599 . . . . 1.32 112.201 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 t -174.37 46.59 0.01 OUTLIER 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.452 0.644 . . . . 2.37 109.428 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.477 -1.179 . . . . 2.49 113.085 -172.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttp . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 110.267 -0.272 . . . . 4.54 110.267 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.37 116.79 4.09 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.436 2.091 . . . . 2.31 112.132 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -122.09 104.43 9.49 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 114.336 -1.302 . . . . 2.62 108.422 174.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.629 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -118.59 155.63 16.0 Favored Glycine 0 N--CA 1.433 -1.54 0 C-N-CA 119.348 -1.406 . . . . 1.42 114.472 -168.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.576 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 53.3 t -76.78 140.57 40.79 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.577 -1.312 . . . . 1.27 109.999 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -90.49 -24.69 20.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.301 0.572 . . . . 3.94 109.819 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -37.8 21.04 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.615 -0.721 . . . . 2.13 111.81 -171.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.42 -22.85 8.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.746 0.784 . . . . 1.38 109.039 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 88.04 22.81 40.39 Favored Glycine 0 N--CA 1.433 -1.531 0 CA-C-N 114.493 -1.23 . . . . 1.42 113.806 169.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' A' ' 67' ' ' LYS . 25.9 mtpp -91.01 123.35 34.41 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.83 -0.348 . . . . 2.91 110.462 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.629 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -92.0 135.89 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.014 0.435 . . . . 1.55 111.001 178.337 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.601 ' CD2' HD22 ' A' ' 74' ' ' LEU . 50.6 m-85 -117.01 165.0 13.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.811 -0.632 . . . . 1.33 111.012 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -85.82 -40.26 16.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.978 -0.556 . . . . 4.43 111.635 -178.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.517 HD21 HD13 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -105.01 155.39 19.0 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.849 -0.34 . . . . 2.44 110.756 -178.555 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.616 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 17.9 mm -64.56 -43.43 96.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.702 -0.481 . . . . 1.97 109.702 174.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 p -65.02 -34.61 78.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.446 . . . . 2.05 110.866 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.601 HD22 ' CD2' ' A' ' 69' ' ' TYR . 2.5 mt -54.74 -56.65 16.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.67 0.747 . . . . 1.62 111.755 173.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 10.8 tp -71.61 -25.16 62.05 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.67 -1.15 . . . . 1.73 109.553 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.616 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -68.99 -40.65 78.63 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.521 -1.218 . . . . 1.34 108.924 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.573 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 3.2 mm? -80.5 -19.84 44.96 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.159 -0.928 . . . . 1.24 110.254 179.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -68.11 -44.7 75.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.694 -0.684 . . . . 0.84 109.773 169.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -73.69 -34.29 64.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.313 -0.858 . . . . 2.49 108.876 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 1.054 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 29.0 ttmt -66.85 -38.93 87.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.913 -1.04 . . . . 1.47 110.293 172.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -58.72 -44.31 90.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 4.53 111.66 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -56.06 -49.83 72.67 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.932 0.345 . . . . 1.17 111.932 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -100.7 28.38 5.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.864 0.364 . . . . 2.01 111.033 -175.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.92 -58.74 4.54 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.07 -0.812 . . . . 0.77 111.07 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 1.054 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 11.1 pt-20 -163.48 141.66 7.8 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.58 0.705 . . . . 2.0 110.544 173.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.507 ' HB2' ' HG ' ' A' ' 96' ' ' LEU . . . -78.68 96.62 5.59 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.208 -0.905 . . . . 1.27 110.583 179.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 9.7 mmm180 -85.51 -89.71 0.11 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.42 -0.809 . . . . 2.74 111.16 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.68 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 22.3 m-85 -90.7 151.25 21.32 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.921 -1.036 . . . . 1.36 111.363 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.655 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.4 mtt180 -108.91 155.29 21.01 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.638 -0.875 . . . . 3.96 108.638 169.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.547 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 4.6 t -74.17 125.43 28.36 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 107.577 -1.268 . . . . 0.91 107.577 168.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -63.91 1.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.154 0.427 . . . . 1.6 112.154 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.476 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.1 p30 -119.73 -39.2 2.87 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 112.123 0.416 . . . . 2.13 112.123 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.525 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 12.3 p -130.22 1.24 4.66 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 119.591 -0.844 . . . . 1.22 111.125 -169.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.7 36.32 89.32 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.474 -0.785 . . . . 1.06 113.916 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.525 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 90.0 mttt -80.87 134.21 35.72 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.569 -0.53 . . . . 2.42 109.569 170.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.68 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.7 mm? -93.86 119.51 32.89 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.111 0.481 . . . . 1.4 111.094 -173.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.535 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 62.3 m-85 -119.62 138.48 53.21 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.493 -0.776 . . . . 0.68 110.432 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.503 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 81.8 p -82.3 -10.41 59.11 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.892 -1.049 . . . . 1.23 110.304 -177.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.406 ' HB ' ' ND2' ' A' ' 102' ' ' ASN . 55.3 m -127.73 128.75 45.92 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.61 -1.177 . . . . 1.34 109.317 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 22.5 p -69.27 -27.38 65.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.314 -0.403 . . . . 0.98 110.922 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.05 -34.92 32.07 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.436 -0.888 . . . . 0.76 112.345 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.406 ' ND2' ' HB ' ' A' ' 99' ' ' THR . 91.2 m-20 -63.11 -40.5 97.81 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 107.786 -1.19 . . . . 1.88 107.786 171.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.559 HD22 ' CB ' ' A' ' 88' ' ' TYR . 14.9 tp -59.98 -57.79 11.32 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 113.57 -1.65 . . . . 1.13 109.266 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.766 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 18.1 ttmm -45.21 -48.08 12.61 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.409 -1.269 . . . . 2.76 112.266 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.558 ' O ' HG12 ' A' ' 109' ' ' VAL . 23.6 mmm180 -53.94 -45.4 71.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 5.05 110.442 175.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.617 ' O ' HG23 ' A' ' 109' ' ' VAL . 80.5 t60 -72.78 -17.46 61.58 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.901 -0.59 . . . . 1.07 111.58 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.766 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.6 mt-30 -84.52 -27.06 27.64 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 107.055 -1.461 . . . . 1.53 107.055 -176.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -74.45 -39.37 62.59 Favored 'General case' 0 CA--C 1.487 -1.467 0 CA-C-N 113.407 -1.724 . . . . 1.43 109.434 -178.372 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 106' ' ' HIS . 4.0 m -62.03 -16.45 15.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-O 121.007 0.432 . . . . 1.58 110.504 -174.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.494 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 51.3 m-70 -76.96 -2.56 34.4 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.69 0.626 . . . . 1.32 112.69 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.8 m -153.04 -41.26 0.1 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.927 0.87 . . . . 2.37 110.362 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.31 -0.894 0 CA-C-N 113.743 -1.571 . . . . 2.49 112.357 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 N--CA 1.456 -0.73 0 CA-C-O 121.74 0.641 . . . . 2.07 111.679 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.409 ' CE2' HG12 ' A' ' 72' ' ' ILE . 26.5 m-85 -106.88 101.56 10.98 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.135 -1.393 . . . . 2.4 109.214 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.648 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -112.41 153.7 17.28 Favored Glycine 0 N--CA 1.432 -1.627 0 C-N-CA 120.009 -1.091 . . . . 1.34 113.53 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.516 ' SG ' ' HE2' ' A' ' 79' ' ' LYS . 12.3 t -70.1 114.1 7.93 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.19 -1.005 . . . . 1.27 110.648 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.41 -18.87 31.45 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.942 0.877 . . . . 3.94 110.89 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.481 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.0 OUTLIER -87.38 -45.04 10.91 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.787 -1.097 . . . . 1.76 112.658 -171.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.2 p -124.55 -19.99 5.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.364 0.602 . . . . 1.32 110.665 -171.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.98 10.12 Favored Glycine 0 N--CA 1.435 -1.432 0 CA-C-N 115.23 -0.895 . . . . 1.31 114.415 168.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.39 124.57 48.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.137 0.469 . . . . 2.43 110.202 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.648 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.38 140.25 29.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.96 0.409 . . . . 1.39 111.472 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.56 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 37.8 m-85 -119.16 161.11 20.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.493 -0.776 . . . . 1.33 111.306 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.472 ' C ' HD13 ' A' ' 71' ' ' LEU . 33.0 mmt180 -74.01 -43.03 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.95 -0.568 . . . . 3.89 111.537 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.649 HD22 HD12 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -112.41 163.22 14.69 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.013 -0.275 . . . . 1.92 111.181 -177.15 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.522 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.4 mm -68.05 -43.67 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 1.59 109.681 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -63.45 -35.56 80.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.889 -0.596 . . . . 1.77 110.514 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.649 HD12 HD22 ' A' ' 71' ' ' LEU . 2.2 mt -55.66 -55.69 29.12 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.584 0.707 . . . . 1.15 111.464 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 13.5 tp -69.55 -25.19 63.89 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.61 -1.177 . . . . 1.08 109.845 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -71.09 -36.99 72.43 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.55 -1.204 . . . . 1.34 109.223 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -79.39 -25.51 42.11 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.432 -0.804 . . . . 0.64 110.32 177.226 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.422 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 36.3 t60 -66.78 -42.13 86.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.63 -0.713 . . . . 0.72 109.283 170.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.516 ' HE2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -71.54 -35.86 70.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.801 -0.814 . . . . 2.06 108.801 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.654 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.9 ttmt -62.36 -40.9 97.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.973 -1.012 . . . . 0.85 110.436 172.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -58.84 -39.02 80.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 3.88 111.991 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.422 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 59.9 m-70 -67.61 -30.51 70.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.422 -0.354 . . . . 1.03 111.919 -176.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 p -107.24 11.79 28.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.769 0.319 . . . . 1.45 111.213 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.21 -60.73 4.81 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.084 -0.806 . . . . 0.67 111.084 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.654 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.418 -2.062 0 N-CA-C 107.783 -1.191 . . . . 2.0 107.783 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 . . . . . 0 N--CA 1.447 -0.608 0 CA-C-O 121.656 0.741 . . . . 2.3 111.45 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 25.9 m-85 -87.17 156.51 19.66 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.792 -1.094 . . . . 0.83 109.605 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.567 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 16.1 ptt180 -126.07 153.6 44.24 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 108.611 -0.885 . . . . 3.33 108.611 166.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.582 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 2.1 t -64.77 120.58 12.74 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.123 -1.436 . . . . 0.91 107.123 170.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -70.23 7.45 1.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.099 0.476 . . . . 1.6 111.578 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.2 p30 -120.72 -42.93 2.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.814 -0.63 . . . . 2.13 111.697 -177.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.856 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 14.0 p -120.37 -13.09 8.89 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 119.906 -0.718 . . . . 1.15 110.036 -172.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.97 33.97 31.7 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.769 -1.105 . . . . 1.01 113.203 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.856 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 38.2 mttp -84.71 131.98 34.51 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 110.161 -0.311 . . . . 1.97 110.161 174.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.609 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -91.46 126.62 36.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.291 0.567 . . . . 0.87 110.683 -175.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.474 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 72.0 m-85 -124.42 141.83 51.77 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.294 -0.867 . . . . 0.62 109.906 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.4 p -86.95 -13.14 45.51 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.315 -0.857 . . . . 0.61 109.807 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.564 HG22 ' H ' ' A' ' 102' ' ' ASN . 94.5 m -118.86 127.64 53.69 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 114.609 -1.178 . . . . 0.79 109.009 177.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 24.7 p -72.37 -23.55 61.14 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.267 -0.424 . . . . 0.74 109.982 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.514 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -74.42 -44.0 29.0 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.952 -0.567 . . . . 0.71 112.51 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.564 ' H ' HG22 ' A' ' 99' ' ' THR . 87.4 m-20 -59.3 -38.17 79.55 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.14 -1.059 . . . . 1.4 108.14 173.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.4 tp -64.92 -52.48 56.19 Favored 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 113.705 -1.589 . . . . 0.54 109.209 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.68 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 23.3 ttmm -51.19 -50.13 59.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.433 -1.258 . . . . 2.27 112.404 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.533 ' O ' HG13 ' A' ' 109' ' ' VAL . 43.4 mtm180 -57.56 -37.37 73.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.478 0.656 . . . . 4.34 109.862 178.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.663 ' O ' HG22 ' A' ' 109' ' ' VAL . 65.3 t60 -76.53 -16.45 59.62 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.945 -1.025 . . . . 0.96 111.319 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.68 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.5 mm100 -85.88 -27.56 24.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.932 -1.507 . . . . 1.53 106.932 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -81.61 -13.33 58.1 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 113.43 -1.714 . . . . 1.18 110.897 -175.839 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 106' ' ' HIS . 10.2 m -81.61 -18.52 11.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 C-N-CA 119.758 -0.777 . . . . 1.27 109.223 174.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 78.2 m80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.678 -0.692 . . . . 1.32 110.554 175.76 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo . . . . . 0 N--CA 1.442 -1.514 0 CA-C-O 121.515 0.548 . . . . 2.07 111.031 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -112.25 94.8 5.11 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.754 -1.112 . . . . 2.4 108.278 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.791 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -103.82 145.31 16.1 Favored Glycine 0 N--CA 1.429 -1.823 0 C-N-CA 119.791 -1.195 . . . . 1.34 113.641 -172.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 6.0 t -61.85 118.37 7.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.47 -1.365 . . . . 1.27 109.84 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -68.71 -14.16 62.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.4 0.619 . . . . 3.94 111.078 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.17 -38.2 10.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.216 -0.902 . . . . 1.76 113.077 -172.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 30.3 p -119.04 -23.17 6.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.672 0.749 . . . . 1.32 109.812 -175.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.23 17.13 47.89 Favored Glycine 0 N--CA 1.432 -1.583 0 CA-C-N 114.724 -1.126 . . . . 1.31 114.15 173.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -88.69 122.5 32.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.069 0.434 . . . . 2.43 110.729 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.791 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.27 138.93 31.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 1.39 111.83 -178.693 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.534 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 43.7 m-85 -123.51 160.81 26.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.763 -0.653 . . . . 1.33 110.889 174.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' C ' HD13 ' A' ' 71' ' ' LEU . 7.3 mpt_? -79.74 -41.41 26.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.437 -0.347 . . . . 3.89 111.69 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -107.39 156.51 18.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.742 0.306 . . . . 1.92 110.643 -177.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.59 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 22.0 mm -67.21 -42.22 87.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.551 -0.537 . . . . 1.59 109.551 174.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 p -61.28 -37.58 83.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.22 0.533 . . . . 1.77 110.98 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 71' ' ' LEU . 2.2 mt -54.1 -57.2 12.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.81 0.814 . . . . 1.15 111.673 173.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.5 tp -71.96 -22.29 61.47 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 114.491 -1.232 . . . . 1.08 109.653 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.2 t-20 -69.45 -38.37 77.75 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.527 -1.215 . . . . 1.34 109.29 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -79.44 -23.22 43.27 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.494 -0.775 . . . . 0.64 110.078 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.4 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 52.2 t60 -70.41 -40.96 73.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.248 -0.887 . . . . 0.72 109.333 171.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.74 -41.55 71.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.251 -0.886 . . . . 2.06 108.848 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.902 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.9 ttmt -58.86 -36.44 74.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.989 -1.005 . . . . 0.85 110.431 173.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 17.1 tpt180 -64.17 -36.82 85.3 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.643 -0.423 . . . . 3.88 111.681 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.4 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 91.1 m-70 -74.39 -45.11 48.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.397 . . . . 1.03 111.311 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 m -84.44 6.48 23.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.459 -0.337 . . . . 1.45 111.495 -176.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.72 -55.51 4.85 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.649 -0.981 . . . . 0.67 110.649 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.902 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.4 pm0 . . . . . 0 N--CA 1.436 -1.158 0 N-CA-C 109.194 -0.669 . . . . 2.0 109.194 171.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.761 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 17.5 mmm180 . . . . . 0 N--CA 1.446 -0.653 0 CA-C-O 121.731 0.777 . . . . 2.3 111.369 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.697 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 23.9 m-85 -95.58 155.44 16.74 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.621 -1.172 . . . . 0.83 109.635 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.688 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 35.2 ptt180 -125.58 152.41 45.13 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.811 -0.811 . . . . 3.33 108.811 167.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.41 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 9.3 t -63.48 130.07 42.87 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.507 -0.923 . . . . 0.91 108.507 175.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -62.79 -9.3 8.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.482 0.488 . . . . 1.6 111.84 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -120.37 -35.24 3.46 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 112.671 0.619 . . . . 2.13 112.671 -172.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.571 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 9.3 p -128.03 1.2 5.9 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 119.33 -0.948 . . . . 1.15 110.717 -171.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.17 39.21 96.92 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 114.952 -1.022 . . . . 1.01 114.678 170.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.688 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 25.7 mtpp -83.89 132.56 34.78 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 117.16 0.48 . . . . 1.97 109.727 171.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.697 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.3 mm? -90.22 111.3 22.43 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.272 0.558 . . . . 0.87 110.901 -177.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.54 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 82.6 m-85 -109.16 140.42 42.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.644 -0.707 . . . . 0.62 109.263 175.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.462 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 52.3 p -87.94 -6.4 58.05 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.552 0.691 . . . . 0.61 110.17 -178.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.572 HG22 ' H ' ' A' ' 102' ' ' ASN . 38.7 m -127.7 128.75 45.96 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.875 -1.057 . . . . 0.79 109.219 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.652 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 26.6 p -69.48 -29.4 67.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.01 -0.541 . . . . 0.74 111.269 -175.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.46 ' HA2' ' HB2' ' A' ' 104' ' ' LYS . . . -77.7 -33.87 41.04 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.296 -0.954 . . . . 0.71 112.357 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.572 ' H ' HG22 ' A' ' 99' ' ' THR . 4.1 m-20 -65.62 -39.3 91.35 Favored 'General case' 0 CA--C 1.492 -1.257 0 N-CA-C 107.767 -1.198 . . . . 1.4 107.767 172.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.649 HD22 ' HB3' ' A' ' 88' ' ' TYR . 13.5 tp -61.06 -58.45 8.37 Favored 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 113.719 -1.582 . . . . 0.54 109.209 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.709 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 3.8 mptp? -40.1 -54.36 2.29 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 124.748 1.28 . . . . 2.27 111.798 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.635 ' O ' HG13 ' A' ' 109' ' ' VAL . 23.2 mmm180 -49.21 -48.8 45.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.218 0.532 . . . . 4.34 110.41 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 109' ' ' VAL . 81.9 t60 -71.25 -17.46 62.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.495 -0.775 . . . . 0.96 112.056 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.709 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 5.6 mt-30 -84.67 -30.4 24.88 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.789 -1.559 . . . . 1.53 106.789 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -73.42 -37.07 66.02 Favored 'General case' 0 C--O 1.201 -1.479 0 CA-C-N 113.085 -1.87 . . . . 1.18 109.406 -176.61 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 105' ' ' ARG . 4.8 m -62.59 -17.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-O 121.151 0.5 . . . . 1.27 110.393 -175.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.48 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 48.0 m-70 . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 112.858 0.688 . . . . 1.32 112.858 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.455 -0.754 0 CA-C-O 122.112 0.797 . . . . 2.07 112.738 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -101.37 97.97 8.39 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 113.651 -1.613 . . . . 2.4 108.854 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.669 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -110.14 148.25 17.41 Favored Glycine 0 N--CA 1.431 -1.652 0 C-N-CA 119.835 -1.174 . . . . 1.34 113.735 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.507 ' SG ' ' HE2' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -70.91 125.35 26.62 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 113.916 -1.142 . . . . 1.27 110.212 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.846 0.831 . . . . 3.94 110.712 -177.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.426 ' HG3' ' SG ' ' A' ' 62' ' ' CYS . 0.3 OUTLIER -85.28 -40.4 16.63 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.769 -1.105 . . . . 1.76 112.503 -170.771 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.71 -0.26 8.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.811 0.815 . . . . 1.32 109.734 -169.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.14 37.4 92.81 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.201 -1.363 . . . . 1.31 114.745 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -109.6 127.85 54.81 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.603 -0.517 . . . . 2.43 109.603 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.669 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -95.92 139.6 31.88 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.394 0.616 . . . . 1.39 111.692 -176.496 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 74' ' ' LEU . 49.7 m-85 -121.04 148.11 44.59 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.197 -0.911 . . . . 1.33 110.753 174.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -75.26 -33.95 61.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.069 -0.969 . . . . 3.89 111.195 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 4.7 mp -107.77 146.36 32.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 1.92 111.063 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.543 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.1 mm -62.5 -45.33 99.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.61 -0.723 . . . . 1.59 110.68 175.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 32.5 t -69.77 -24.32 63.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.957 0.408 . . . . 1.77 110.263 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.1 mt -64.86 -52.91 54.06 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 121.311 0.576 . . . . 1.15 110.903 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 11.4 tp -68.86 -29.4 67.7 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.041 -0.982 . . . . 1.08 109.587 177.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -65.51 -39.97 92.46 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.582 -1.19 . . . . 1.34 109.689 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 1.4 mm? -77.67 -26.17 50.1 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.302 -0.863 . . . . 0.64 110.415 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.491 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 47.9 t60 -65.25 -41.6 94.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.525 -0.546 . . . . 0.72 109.525 171.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.784 ' HG2' HD23 ' A' ' 96' ' ' LEU . 2.2 tppp? -69.77 -32.99 71.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.703 -0.851 . . . . 2.06 108.703 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.6 ttmt -69.91 -33.56 72.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.18 -0.918 . . . . 0.85 110.634 175.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 36.3 mmt180 -60.16 -39.29 85.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.717 0.294 . . . . 3.88 111.636 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.491 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 71.0 m-70 -59.09 -39.38 82.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.403 0.52 . . . . 1.03 112.403 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m -108.39 14.74 24.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.691 0.282 . . . . 1.45 111.527 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.15 -59.79 4.52 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.951 -0.86 . . . . 0.67 110.951 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.602 ' HG3' ' NE ' ' A' ' 87' ' ' ARG . 2.6 pm0 . . . . . 0 N--CA 1.434 -1.24 0 N-CA-C 108.011 -1.107 . . . . 2.0 108.011 170.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.602 ' NE ' ' HG3' ' A' ' 85' ' ' GLU . 21.0 mmt180 . . . . . 0 N--CA 1.442 -0.871 0 CA-C-O 121.292 0.568 . . . . 2.3 111.037 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.749 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.9 m-85 -91.29 153.5 19.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.098 -0.955 . . . . 0.83 111.47 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.593 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 47.7 mtt180 -108.12 153.8 22.62 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.899 -0.778 . . . . 3.33 108.899 169.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.498 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 8.2 t -70.18 117.75 12.13 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.115 -1.809 . . . . 0.91 106.115 163.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.04 -5.25 0.61 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.309 0.485 . . . . 1.6 112.309 -174.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.429 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.4 p30 -115.02 -36.08 4.54 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.599 -0.273 . . . . 2.13 111.622 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.818 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 3.8 p -130.95 3.76 4.43 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 119.481 -0.888 . . . . 1.15 111.21 -171.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.06 39.16 97.23 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.37 -0.832 . . . . 1.01 114.293 168.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.818 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 10.5 mtpp -87.27 135.02 33.47 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.79 -0.819 . . . . 1.97 108.79 172.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.784 HD23 ' HG2' ' A' ' 79' ' ' LYS . 3.9 mm? -94.4 105.24 17.21 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.303 0.573 . . . . 0.87 111.504 -172.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.479 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 93.9 m-85 -100.72 142.88 31.57 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.486 -0.779 . . . . 0.62 110.017 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.526 HG22 ' HG2' ' A' ' 85' ' ' GLU . 71.1 p -93.05 7.09 45.59 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 121.947 0.879 . . . . 0.61 110.379 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.543 HG22 ' H ' ' A' ' 102' ' ' ASN . 22.5 m -144.24 129.26 18.54 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.386 -1.279 . . . . 0.79 109.215 175.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.0 p -67.09 -26.89 66.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.812 -0.631 . . . . 0.74 110.695 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.642 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -75.47 -44.01 22.83 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.906 -0.588 . . . . 0.71 112.374 175.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.543 ' H ' HG22 ' A' ' 99' ' ' THR . 12.3 m120 -57.03 -38.96 73.91 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.183 -1.043 . . . . 1.4 108.183 173.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.6 tp -63.63 -56.57 14.79 Favored 'General case' 0 N--CA 1.417 -2.102 0 CA-C-N 113.48 -1.691 . . . . 0.54 109.727 178.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.834 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 40.2 ttpt -47.66 -49.63 26.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.546 -1.206 . . . . 2.27 112.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 49.0 mtt180 -59.69 -35.9 75.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.053 0.454 . . . . 4.34 110.076 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.722 ' O ' HG22 ' A' ' 109' ' ' VAL . 76.3 t60 -76.81 -17.56 58.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.213 -0.903 . . . . 0.96 111.201 176.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.834 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mt-30 -84.06 -27.29 28.4 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.412 -1.699 . . . . 1.53 106.412 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -83.49 -9.44 58.98 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 112.895 -1.957 . . . . 1.18 111.242 -176.164 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 106' ' ' HIS . 11.0 m -83.48 -17.61 10.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 C-N-CA 119.596 -0.841 . . . . 1.27 108.807 173.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.4 m80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.055 -0.975 . . . . 1.32 110.284 175.599 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo . . . . . 0 N--CA 1.452 -0.959 0 CA-C-O 121.694 0.622 . . . . 2.07 110.585 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.49 ' HB3' HD22 ' A' ' 75' ' ' LEU . 44.9 m-85 -96.15 100.21 11.88 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.541 -1.209 . . . . 2.4 109.521 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.739 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -113.5 144.56 18.18 Favored Glycine 0 N--CA 1.436 -1.347 0 C-N-CA 119.895 -1.145 . . . . 1.34 114.147 -171.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.478 ' SG ' ' HG3' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -61.32 130.92 48.5 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.913 -1.143 . . . . 1.27 110.832 178.716 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -75.63 -16.55 60.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.323 0.582 . . . . 3.94 111.075 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.478 ' HG3' ' SG ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -91.64 -37.54 13.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.754 0.65 . . . . 1.76 112.754 -174.781 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.5 p -126.86 2.08 6.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.592 0.711 . . . . 1.32 109.69 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.26 38.1 92.79 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.308 -1.314 . . . . 1.31 114.592 171.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -110.15 117.01 32.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.14 -0.319 . . . . 2.43 110.14 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.739 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -86.23 141.96 28.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.504 0.668 . . . . 1.39 111.905 -178.035 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.592 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 47.5 m-85 -120.54 142.7 49.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.969 -1.014 . . . . 1.33 110.054 173.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -69.91 -17.92 63.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.617 -0.72 . . . . 3.89 112.138 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 24.7 mt -127.84 163.44 24.4 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.523 -0.471 . . . . 1.92 111.398 -177.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.4 mm -74.17 -51.91 22.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.569 -0.742 . . . . 1.59 110.491 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 17.7 m -63.5 -26.5 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.415 0.626 . . . . 1.77 110.349 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 4.5 mt -58.48 -58.7 7.36 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.148 -0.933 . . . . 1.15 111.781 172.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 6.1 tp -71.85 -22.27 61.55 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 114.8 -1.091 . . . . 1.08 109.486 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -68.08 -39.76 82.82 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.455 -1.248 . . . . 1.34 108.752 177.747 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.3 mm? -80.5 -22.32 41.07 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.205 -0.907 . . . . 0.64 110.374 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 75' ' ' LEU . 59.7 t60 -69.12 -40.9 78.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.257 -0.646 . . . . 0.72 109.257 170.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.684 ' HG2' HD23 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -72.25 -38.29 68.92 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.384 -0.969 . . . . 2.06 108.384 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.837 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 34.4 ttmt -62.98 -29.84 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.767 -1.106 . . . . 0.85 110.19 173.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -66.1 -43.41 87.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.458 -0.337 . . . . 3.88 110.964 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -74.03 -50.32 20.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.701 0.286 . . . . 1.03 111.469 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 m -86.66 11.09 13.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.249 0.463 . . . . 1.45 112.249 -172.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.73 -55.16 5.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.648 -0.787 . . . . 0.67 111.196 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.837 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.7 pm0 . . . . . 0 N--CA 1.431 -1.375 0 N-CA-C 108.828 -0.804 . . . . 2.0 108.828 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.747 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 16.0 mmm180 . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.399 0.619 . . . . 2.3 110.895 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.676 ' HB3' HD22 ' A' ' 103' ' ' LEU . 25.4 m-85 -94.69 152.89 18.11 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.421 -0.808 . . . . 0.83 110.318 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 11.2 ptt180 -124.26 153.9 40.99 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.466 -0.938 . . . . 3.33 108.466 167.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.47 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 25.3 t -65.56 118.11 9.01 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.443 -1.253 . . . . 0.91 108.605 172.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.57 -0.95 0.31 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.419 0.449 . . . . 1.6 111.793 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.47 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -113.8 -42.2 3.46 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 120.914 -0.314 . . . . 2.13 111.397 -175.61 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.761 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 8.9 p -130.82 -2.54 4.14 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 119.353 -0.939 . . . . 1.15 111.218 -171.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.86 39.31 55.16 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.346 -0.843 . . . . 1.01 114.228 168.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.761 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 57.6 mttt -92.07 131.54 37.26 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.355 -0.609 . . . . 1.97 109.355 174.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.684 HD23 ' HG2' ' A' ' 79' ' ' LYS . 3.9 mm? -90.85 121.17 32.48 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.183 0.516 . . . . 0.87 110.987 -174.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 86.3 m-85 -116.31 136.14 53.26 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.495 -0.775 . . . . 0.62 109.896 177.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.594 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 64.1 p -85.33 -3.37 58.81 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.223 -0.899 . . . . 0.61 110.04 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 101' ' ' GLY . 24.9 m -133.34 128.54 35.89 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 114.514 -1.221 . . . . 0.79 109.042 175.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 26.1 p -67.52 -23.24 65.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.274 -0.421 . . . . 0.74 110.9 -177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.468 ' H ' HG22 ' A' ' 99' ' ' THR . . . -73.08 -46.07 29.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.925 -0.655 . . . . 0.71 112.28 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.436 ' H ' HG22 ' A' ' 99' ' ' THR . 12.2 m120 -56.03 -38.24 70.29 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.541 -0.911 . . . . 1.4 108.541 172.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 88' ' ' TYR . 19.5 tp -66.14 -52.58 47.06 Favored 'General case' 0 N--CA 1.419 -2.019 0 CA-C-N 113.803 -1.544 . . . . 0.54 109.46 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.685 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 39.2 ttmt -51.88 -49.33 63.2 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.302 -1.317 . . . . 2.27 112.431 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.626 ' HA ' HD22 ' A' ' 108' ' ' LEU . 35.8 ptt180 -66.98 -26.95 67.06 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.724 -0.79 . . . . 4.34 110.004 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.707 ' O ' HG22 ' A' ' 109' ' ' VAL . 72.5 t60 -78.98 -16.8 56.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 0.96 110.481 174.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.685 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.5 mm100 -82.92 -27.14 30.83 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.938 -1.875 . . . . 1.53 105.938 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -83.06 -17.56 42.79 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 112.552 -2.113 . . . . 1.18 111.212 -176.315 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.707 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -76.03 -19.49 15.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 C-N-CA 119.7 -0.8 . . . . 1.27 109.22 175.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.472 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 89.7 m-70 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.447 -0.797 . . . . 1.32 110.725 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 N--CA 1.449 -1.126 0 N-CA-C 109.956 -0.824 . . . . 2.07 109.956 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.449 ' HB3' HD22 ' A' ' 75' ' ' LEU . 41.5 m-85 -88.88 93.74 9.7 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.307 -0.861 . . . . 2.4 109.649 -175.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.677 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -108.21 145.24 16.29 Favored Glycine 0 N--CA 1.433 -1.552 0 C-N-CA 120.135 -1.031 . . . . 1.34 113.724 -172.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 22.0 t -60.74 122.34 14.54 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.808 -1.196 . . . . 1.27 110.338 177.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.12 -18.3 64.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.397 0.618 . . . . 3.94 110.397 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.554 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -82.15 -47.38 12.59 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.133 -0.939 . . . . 1.76 112.024 -173.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.2 p -121.74 -21.88 5.99 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.375 0.607 . . . . 1.32 110.27 -169.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.27 39.38 5.7 Favored Glycine 0 N--CA 1.437 -1.26 0 CA-C-N 115.189 -0.914 . . . . 1.31 113.781 168.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 61' ' ' GLY . 64.6 mttm -110.43 120.27 41.87 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.814 -0.439 . . . . 2.43 109.814 176.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.677 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -87.86 135.15 33.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.211 0.529 . . . . 1.39 111.004 -177.494 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.656 ' CD2' HD22 ' A' ' 74' ' ' LEU . 40.4 m-85 -112.99 162.67 15.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.524 -0.762 . . . . 1.33 111.517 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -79.43 -41.7 27.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.436 -0.802 . . . . 3.89 110.592 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.839 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 6.0 mp -105.22 148.53 26.85 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.21 -0.45 . . . . 1.92 111.111 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.93 -45.54 98.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.563 -0.744 . . . . 1.59 109.274 171.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -38.61 87.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 1.77 110.39 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.839 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -57.67 -49.88 75.03 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.455 0.645 . . . . 1.15 111.392 177.435 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 5.1 tp -70.13 -30.55 67.76 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 114.935 -1.029 . . . . 1.08 110.15 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -71.23 -34.22 70.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.221 -0.9 . . . . 1.34 109.557 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -80.66 -22.5 40.4 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.299 -0.864 . . . . 0.64 110.143 178.703 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.473 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 20.3 t60 -67.15 -48.37 68.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.073 -0.967 . . . . 0.72 109.191 169.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -77.2 -20.24 55.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.464 -0.789 . . . . 2.06 109.804 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.944 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 18.4 ttmt -70.92 -43.61 67.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.272 -0.876 . . . . 0.85 110.102 169.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 23.7 tpt180 -65.56 -30.07 70.76 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.315 -0.402 . . . . 3.88 111.997 -173.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.473 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 56.9 m-70 -60.27 -24.01 64.59 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.787 0.327 . . . . 1.03 111.288 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 m -118.23 20.8 13.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.211 0.529 . . . . 1.45 110.401 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.43 -59.34 4.38 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.294 -0.723 . . . . 0.67 111.294 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.944 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 6.8 pt-20 . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 108.663 -0.866 . . . . 2.0 108.663 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.56 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 10.2 mmm180 . . . . . 0 N--CA 1.445 -0.708 0 CA-C-O 121.615 0.721 . . . . 2.3 111.565 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.684 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 27.3 m-85 -90.86 152.24 20.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.883 -1.053 . . . . 0.83 111.047 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.724 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 29.8 mtt180 -108.83 154.5 22.01 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.351 -0.981 . . . . 3.33 108.351 168.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.472 ' HA ' HD11 ' A' ' 103' ' ' LEU . 5.5 t -71.0 122.92 20.89 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 106.643 -1.614 . . . . 0.91 106.643 168.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -61.61 -3.03 0.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.996 0.369 . . . . 1.6 111.996 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.445 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.3 p30 -118.75 -36.97 3.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.402 -0.363 . . . . 2.13 111.966 -174.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.646 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 9.3 p -130.43 3.44 4.65 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 119.738 -0.785 . . . . 1.15 110.812 -171.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.65 36.69 90.53 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.221 -0.9 . . . . 1.01 114.604 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.646 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 15.6 mtpp -79.78 140.25 36.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.304 -0.628 . . . . 1.97 109.304 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.724 ' CD1' ' HG3' ' A' ' 89' ' ' ARG . 3.4 mm? -96.38 114.24 25.9 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.277 0.561 . . . . 0.87 110.548 -176.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 83.5 m-85 -112.89 135.43 53.67 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.309 -0.859 . . . . 0.62 109.893 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.56 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 44.6 p -79.45 -13.52 59.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.95 -1.023 . . . . 0.61 109.621 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 102' ' ' ASN . 53.9 m -123.87 127.92 48.73 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 114.379 -1.282 . . . . 0.79 109.289 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 17.8 p -68.35 -25.71 65.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 0.74 111.14 -178.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.04 -41.82 26.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.994 -0.622 . . . . 0.71 112.571 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.56 ' H ' HG22 ' A' ' 99' ' ' THR . 4.4 m-20 -59.04 -36.43 74.98 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 108.248 -1.019 . . . . 1.4 108.248 172.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 88' ' ' TYR . 15.4 tp -65.77 -57.58 7.66 Favored 'General case' 0 N--CA 1.415 -2.204 0 CA-C-N 113.933 -1.485 . . . . 0.54 109.204 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.799 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 41.6 ttmt -47.86 -50.54 26.01 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.448 -1.251 . . . . 2.27 112.499 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.601 ' HA ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -62.3 -29.6 70.55 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.441 -0.503 . . . . 4.34 110.341 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.74 ' O ' HG22 ' A' ' 109' ' ' VAL . 52.2 t-80 -79.22 -19.1 51.59 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.96 110.759 176.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.799 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 8.0 mt-30 -81.38 -25.97 35.85 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 106.527 -1.657 . . . . 1.53 106.527 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -82.67 -15.68 51.1 Favored 'General case' 0 C--O 1.206 -1.205 0 CA-C-N 112.872 -1.967 . . . . 1.18 111.533 -176.236 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.9 m -78.67 -16.65 13.59 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.76 -0.83 . . . . 1.27 108.76 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.505 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 71.7 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.226 -0.897 . . . . 1.32 110.696 175.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 CA-C-O 121.874 0.697 . . . . 2.07 111.626 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CE2' HG12 ' A' ' 72' ' ' ILE . 52.7 m-85 -124.11 105.51 9.6 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.255 -1.339 . . . . 2.4 109.728 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.805 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -106.93 162.14 13.62 Favored Glycine 0 N--CA 1.435 -1.41 0 C-N-CA 119.745 -1.216 . . . . 1.34 113.86 -171.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.569 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 45.2 t -80.13 141.65 35.55 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 113.989 -1.105 . . . . 1.27 110.347 177.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -85.19 -26.77 26.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.416 0.627 . . . . 3.94 110.088 177.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -88.17 -35.0 17.63 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.521 -0.763 . . . . 1.76 112.156 -167.667 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.449 ' SG ' ' NE2' ' A' ' 78' ' ' HIS . 18.1 p -114.73 -27.06 7.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.897 0.856 . . . . 1.32 108.925 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.569 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 86.31 35.8 10.43 Favored Glycine 0 N--CA 1.434 -1.47 0 CA-C-N 114.173 -1.376 . . . . 1.31 114.059 169.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -110.82 136.91 49.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.99 0.395 . . . . 2.43 110.075 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.805 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -90.37 137.4 32.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.063 0.458 . . . . 1.39 111.43 -177.195 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.592 ' CD2' HD22 ' A' ' 74' ' ' LEU . 19.2 m-85 -109.62 168.82 9.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.386 0.612 . . . . 1.33 111.759 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -83.2 -40.49 19.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.632 -1.167 . . . . 3.89 111.443 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 8.0 mp -115.81 159.39 21.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 1.92 111.697 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 10.0 mm -63.84 -50.58 76.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.514 -0.766 . . . . 1.59 109.965 172.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 20.0 t -66.77 -27.02 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 1.77 110.302 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.93 -53.09 59.45 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.357 0.598 . . . . 1.15 110.649 174.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HG ' ' HE3' ' A' ' 79' ' ' LYS . 13.2 tp -70.0 -27.18 64.49 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.088 -0.96 . . . . 1.08 109.865 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -68.44 -38.53 81.23 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.776 -1.102 . . . . 1.34 109.709 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.9 mm? -80.23 -20.41 44.65 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.513 0.673 . . . . 0.64 109.897 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.592 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 49.1 t60 -68.74 -45.21 72.06 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.085 -0.962 . . . . 0.72 109.723 171.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.698 ' HD3' HD23 ' A' ' 96' ' ' LEU . 16.5 ptpt -80.73 -20.44 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.062 -0.517 . . . . 2.06 109.833 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.604 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 32.8 ttmt -71.67 -38.67 70.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.633 -0.712 . . . . 0.85 109.367 168.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -59.25 -43.07 92.46 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.09 -0.505 . . . . 3.88 112.055 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.592 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 95.2 m-70 -67.51 -29.12 68.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.736 0.303 . . . . 1.03 111.505 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 m -105.48 9.25 33.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.752 0.31 . . . . 1.45 111.42 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.62 -59.12 4.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.582 -0.818 . . . . 0.67 111.291 -175.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.901 ' HG3' ' HE ' ' A' ' 87' ' ' ARG . 1.1 pm0 . . . . . 0 N--CA 1.438 -1.062 0 N-CA-C 108.857 -0.794 . . . . 2.0 108.857 172.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.901 ' HE ' ' HG3' ' A' ' 85' ' ' GLU . 20.5 mmt180 . . . . . 0 N--CA 1.446 -0.63 0 CA-C-O 121.468 0.651 . . . . 2.3 111.495 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.717 ' HB3' HD22 ' A' ' 103' ' ' LEU . 9.9 m-85 -93.52 150.78 20.17 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.741 -1.118 . . . . 0.83 109.816 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 13.2 ptt-85 -122.96 153.82 39.22 Favored 'General case' 0 CA--C 1.494 -1.202 0 CA-C-O 121.766 0.793 . . . . 3.33 109.011 167.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.562 ' C ' ' H ' ' A' ' 92' ' ' ASP . 12.6 t -68.28 109.43 3.6 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.911 -1.514 . . . . 0.91 106.911 166.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.6 13.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.56 0.695 . . . . 1.6 110.484 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.562 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -106.9 -47.77 3.64 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.807 -1.088 . . . . 2.13 109.743 178.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.743 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 13.7 p -130.54 -5.85 4.18 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.989 -0.684 . . . . 1.15 111.034 -173.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.76 40.39 26.5 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.328 -0.851 . . . . 1.01 113.964 169.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.743 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 60.3 mttt -93.12 129.32 39.15 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.192 -0.67 . . . . 1.97 109.192 173.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.698 HD23 ' HD3' ' A' ' 79' ' ' LYS . 4.1 mm? -94.1 114.95 27.2 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.087 0.47 . . . . 0.87 111.025 -173.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -108.14 141.24 40.17 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.468 -0.787 . . . . 0.62 109.897 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.475 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 65.8 p -94.08 13.23 23.73 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 122.134 0.968 . . . . 0.61 109.837 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 102' ' ' ASN . 33.7 m -149.35 128.62 12.88 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 113.979 -1.464 . . . . 0.79 108.678 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.3 p -66.55 -28.13 68.29 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.211 -0.449 . . . . 0.74 110.769 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.51 -42.71 72.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.877 -0.678 . . . . 0.71 112.434 174.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 4.6 m-20 -59.58 -38.23 80.63 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.463 -0.94 . . . . 1.4 108.463 173.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 88' ' ' TYR . 30.8 tp -65.39 -54.78 23.71 Favored 'General case' 0 N--CA 1.418 -2.066 0 CA-C-N 113.894 -1.503 . . . . 0.54 109.345 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.631 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 83.7 mttt -48.42 -51.33 27.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.51 -1.223 . . . . 2.27 112.589 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.578 ' O ' HG13 ' A' ' 109' ' ' VAL . 8.0 ppt_? -62.37 -29.4 70.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.107 -0.637 . . . . 4.34 110.203 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.692 ' O ' HG22 ' A' ' 109' ' ' VAL . 78.0 t60 -80.68 -17.82 49.92 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.253 0.549 . . . . 0.96 111.112 175.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.631 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.4 mm100 -82.57 -24.54 33.92 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.802 -1.555 . . . . 1.53 106.802 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -83.71 -27.46 28.97 Favored 'General case' 0 C--O 1.202 -1.402 0 CA-C-N 113.215 -1.812 . . . . 1.18 110.665 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.5 m -66.29 -21.24 28.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 C-N-CA 119.729 -0.788 . . . . 1.27 109.34 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.45 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 89.4 m-70 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.548 -0.751 . . . . 1.32 111.875 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 CA-C-O 121.724 0.635 . . . . 2.07 111.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -129.48 97.12 4.46 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 114.383 -1.281 . . . . 2.4 108.941 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 1.047 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -101.98 150.98 18.38 Favored Glycine 0 N--CA 1.426 -1.984 0 C-N-CA 120.015 -1.088 . . . . 1.34 113.285 -171.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 64' ' ' GLU . 1.4 t -76.88 98.84 5.0 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.409 -0.96 . . . . 1.27 108.409 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.18 -5.83 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.126 0.965 . . . . 3.94 109.839 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 62' ' ' CYS . 1.5 tt0 -82.77 -38.87 22.58 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.007 -1.451 . . . . 1.76 111.725 -177.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 p -129.04 -14.17 4.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.153 0.501 . . . . 1.32 111.086 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.28 26.59 17.97 Favored Glycine 0 N--CA 1.434 -1.458 0 CA-C-N 115.573 -0.739 . . . . 1.31 114.198 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -111.97 119.34 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.545 -0.385 . . . . 2.43 110.852 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 1.047 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -87.48 138.44 31.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 1.39 110.88 178.753 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.583 ' CD2' HD22 ' A' ' 74' ' ' LEU . 34.0 m-85 -113.3 174.71 5.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.0 -0.545 . . . . 1.33 111.442 178.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.48 ' C ' HD13 ' A' ' 71' ' ' LEU . 22.3 mmm180 -96.08 -37.63 10.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.733 -0.667 . . . . 3.89 111.088 -172.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.672 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -112.08 161.3 16.64 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.255 -0.278 . . . . 1.92 110.389 178.469 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.3 mm -66.02 -47.9 83.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.851 -0.426 . . . . 1.59 109.851 174.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 t -61.38 -35.63 78.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 1.77 110.417 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.672 HD12 HD22 ' A' ' 71' ' ' LEU . 1.2 mt -54.32 -55.5 27.76 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.578 0.704 . . . . 1.15 111.593 174.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 17.9 tp -68.7 -30.61 69.3 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.549 -1.205 . . . . 1.08 109.656 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -70.15 -43.45 70.86 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.141 -1.39 . . . . 1.34 109.343 -176.674 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.788 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.4 mm? -80.99 -20.94 40.77 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 115.18 -0.918 . . . . 0.64 110.339 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -64.92 -43.19 93.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.924 -0.769 . . . . 0.72 108.924 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.872 ' HD3' HD23 ' A' ' 96' ' ' LEU . 14.0 ttmm -66.93 -31.55 72.21 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.369 -0.832 . . . . 2.06 109.26 178.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 1.008 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 13.5 mptt -62.38 -47.07 85.76 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.579 -0.737 . . . . 0.85 110.78 169.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.788 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 30.0 mmm180 -54.79 -26.95 38.02 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.12 0.415 . . . . 3.88 112.12 -176.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -64.9 -45.21 86.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.18 -0.464 . . . . 1.03 112.072 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 p -130.14 30.5 4.78 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.199 0.444 . . . . 1.45 112.199 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.1 -57.56 4.61 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.193 -0.763 . . . . 0.67 111.193 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 1.008 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.2 pm0 . . . . . 0 N--CA 1.437 -1.112 0 N-CA-C 109.248 -0.649 . . . . 2.0 109.248 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.676 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 23.1 mmm180 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.308 0.575 . . . . 2.3 111.696 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.653 ' HB3' HD22 ' A' ' 103' ' ' LEU . 10.0 m-85 -88.16 154.61 20.31 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.101 -0.954 . . . . 0.83 109.984 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.559 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 19.5 ptt180 -124.25 150.33 45.45 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 119.884 -0.726 . . . . 3.33 110.073 170.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.425 ' HB3' ' H ' ' A' ' 95' ' ' LYS . 19.3 t -60.58 123.39 17.24 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.182 -1.372 . . . . 0.91 108.124 171.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.55 6.17 2.0 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.025 0.44 . . . . 1.6 111.129 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.417 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -116.08 -43.34 2.98 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.092 -0.504 . . . . 2.13 111.173 -178.189 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.5 p -130.19 1.09 4.67 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 119.611 -0.836 . . . . 1.15 110.468 -171.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.6 36.06 75.63 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.169 -0.923 . . . . 1.01 113.403 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 9.4 mmtp -81.49 125.5 30.54 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 123.017 0.527 . . . . 1.97 110.262 174.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.872 HD23 ' HD3' ' A' ' 79' ' ' LYS . 3.7 mm? -89.31 126.53 35.56 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.279 0.561 . . . . 0.87 111.21 -175.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.526 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 90.2 m-85 -124.22 141.67 51.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.399 -0.819 . . . . 0.62 110.239 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.574 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 81.4 p -88.68 4.06 48.53 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.001 0.905 . . . . 0.61 110.023 -178.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 102' ' ' ASN . 50.9 m -143.83 128.85 18.57 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.31 -1.314 . . . . 0.79 109.158 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.558 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 9.1 p -67.27 -27.48 67.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 0.74 111.133 -176.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -73.99 -41.85 39.14 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.783 -0.722 . . . . 0.71 112.164 175.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.51 ' H ' HG22 ' A' ' 99' ' ' THR . 11.4 m120 -59.2 -38.13 79.14 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 108.308 -0.997 . . . . 1.4 108.308 173.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 88' ' ' TYR . 14.2 tp -65.02 -51.74 59.92 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 113.475 -1.693 . . . . 0.54 109.4 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.429 ' O ' HD13 ' A' ' 108' ' ' LEU . 21.1 ttmm -50.2 -48.43 54.25 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.358 -1.292 . . . . 2.27 111.533 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.602 ' O ' HG13 ' A' ' 109' ' ' VAL . 10.4 mmm180 -56.58 -44.28 80.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.411 . . . . 4.34 109.919 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 109' ' ' VAL . 70.6 t60 -69.16 -18.76 63.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.812 -0.631 . . . . 0.96 111.29 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 12.5 mm-40 -81.76 -29.0 33.01 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 107.452 -1.314 . . . . 1.53 107.452 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -82.36 -18.45 42.06 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 113.488 -1.687 . . . . 1.18 110.85 -175.413 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.9 m -77.29 -19.56 14.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 C-N-CA 119.94 -0.704 . . . . 1.27 109.254 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.561 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 84.4 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.621 -0.718 . . . . 1.32 111.234 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo . . . . . 0 N--CA 1.455 -0.785 0 CA-C-O 121.806 0.669 . . . . 2.07 111.513 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 75' ' ' LEU . 43.5 m-85 -120.61 99.65 6.67 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 114.316 -1.311 . . . . 2.4 108.588 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.761 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -114.37 144.21 18.24 Favored Glycine 0 N--CA 1.432 -1.567 0 C-N-CA 119.505 -1.331 . . . . 1.34 114.283 -171.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 3.2 t -66.93 106.88 2.04 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.585 -1.307 . . . . 1.27 109.939 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.64 -6.94 8.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.49 0.662 . . . . 3.94 110.76 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.8 tt0 -84.62 -42.9 14.93 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.008 -0.996 . . . . 1.76 111.487 -176.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 p -127.9 -18.39 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.083 0.468 . . . . 1.32 110.732 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.05 28.51 13.39 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 115.803 -0.635 . . . . 1.31 114.334 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -104.92 124.59 49.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.08 0.44 . . . . 2.43 109.821 173.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.761 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 1.0 OUTLIER -97.51 143.03 28.63 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.538 0.685 . . . . 1.39 110.962 178.564 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.605 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 58.0 m-85 -123.0 147.35 46.74 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.723 -1.126 . . . . 1.33 110.332 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.54 ' HG3' HD22 ' A' ' 71' ' ' LEU . 24.2 ptt180 -76.21 -32.12 58.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.923 -0.581 . . . . 3.89 111.721 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -104.17 153.33 21.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 120.667 -0.413 . . . . 1.92 110.805 177.402 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 14.5 mm -64.89 -49.22 80.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.227 -0.442 . . . . 1.59 110.148 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 m -61.2 -27.66 68.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 1.77 111.132 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 2.2 mt -60.81 -56.59 19.34 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.686 0.755 . . . . 1.15 111.521 174.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.0 tp -70.94 -24.73 62.49 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 114.459 -1.246 . . . . 1.08 109.517 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -69.08 -40.0 78.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.304 -1.316 . . . . 1.34 109.264 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.566 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -80.91 -19.89 43.34 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.641 -0.708 . . . . 0.64 110.654 178.428 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -66.94 -46.48 74.61 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.23 -0.895 . . . . 0.72 108.891 171.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 79' ' ' LYS . 15.3 ttmm -70.74 -38.65 73.54 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.409 -0.814 . . . . 2.06 109.608 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.804 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 27.0 ttmt -59.31 -37.99 79.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.633 -0.712 . . . . 0.85 110.351 173.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -66.21 -29.58 69.87 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.088 0.403 . . . . 3.88 112.088 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -67.53 -50.53 58.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.147 -0.346 . . . . 1.03 111.241 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m -92.75 15.17 15.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.019 0.438 . . . . 1.45 111.347 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.87 -47.48 3.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.849 -0.691 . . . . 0.67 112.017 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.804 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.1 pt-20 . . . . . 0 N--CA 1.436 -1.147 0 N-CA-C 108.905 -0.776 . . . . 2.0 108.905 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.513 ' HG2' ' HG3' ' A' ' 85' ' ' GLU . 28.7 mmt180 . . . . . 0 N--CA 1.444 -0.75 0 CA-C-O 121.477 0.656 . . . . 2.3 111.507 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.748 ' HB3' HD22 ' A' ' 103' ' ' LEU . 33.0 m-85 -86.22 149.96 24.72 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.778 -1.101 . . . . 0.83 109.664 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.623 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 39.5 ptt180 -125.77 148.47 49.09 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 120.113 -0.635 . . . . 3.33 109.643 169.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.633 ' HA ' ' OE1' ' A' ' 107' ' ' GLN . 46.9 t -55.61 120.8 7.81 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.588 -1.187 . . . . 0.91 108.392 173.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.51 6.34 0.64 Allowed 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.616 0.572 . . . . 1.6 111.32 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -120.97 -40.81 2.59 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.282 -0.417 . . . . 2.13 111.979 -178.63 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.3 p -131.35 -1.94 3.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 119.463 -0.895 . . . . 1.15 111.464 -171.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.39 38.25 39.2 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.746 -0.661 . . . . 1.01 113.755 171.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.63 ' HB3' ' CE1' ' A' ' 97' ' ' PHE . 5.5 mmtm -82.7 125.94 31.8 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 123.362 0.665 . . . . 1.97 110.293 172.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.619 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.7 mm? -91.71 125.82 36.57 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.948 0.404 . . . . 0.87 111.127 -175.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 95' ' ' LYS . 75.3 m-85 -126.03 146.99 49.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.433 -0.803 . . . . 0.62 110.278 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -96.06 10.19 38.34 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.705 0.764 . . . . 0.61 110.118 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.532 HG22 ' H ' ' A' ' 102' ' ' ASN . 37.4 m -146.68 128.85 15.66 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.744 -1.116 . . . . 0.79 108.718 177.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.47 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 19.6 p -68.62 -28.61 67.06 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.334 0.396 . . . . 0.74 111.304 -175.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.11 -35.66 37.78 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.464 -0.874 . . . . 0.71 112.683 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.532 ' H ' HG22 ' A' ' 99' ' ' THR . 96.4 m-20 -65.9 -37.26 85.63 Favored 'General case' 0 CA--C 1.49 -1.358 0 N-CA-C 107.885 -1.154 . . . . 1.4 107.885 173.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' A' ' 88' ' ' TYR . 12.4 tp -62.29 -52.27 64.38 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-N 113.476 -1.693 . . . . 0.54 108.899 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 38.2 ttpt -52.19 -44.53 64.76 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 114.097 -1.41 . . . . 2.27 111.539 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.576 ' O ' HG13 ' A' ' 109' ' ' VAL . 3.3 mmp_? -51.87 -47.04 64.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.004 0.43 . . . . 4.34 109.945 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.67 ' O ' HG22 ' A' ' 109' ' ' VAL . 74.2 t60 -71.87 -17.82 62.1 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.417 -0.811 . . . . 0.96 111.994 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.633 ' OE1' ' HA ' ' A' ' 90' ' ' CYS . 2.3 mm100 -84.57 -27.6 27.17 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.531 -1.285 . . . . 1.53 107.531 -178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -75.61 -36.26 60.32 Favored 'General case' 0 CA--C 1.484 -1.573 0 CA-C-N 113.37 -1.741 . . . . 1.18 109.949 -178.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.0 m -60.93 -23.9 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-O 121.011 0.434 . . . . 1.27 109.862 -175.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.3 m80 . . . . . 0 CA--C 1.536 0.425 0 CA-C-N 115.682 -0.69 . . . . 1.32 112.301 -179.247 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 N--CA 1.455 -0.786 0 CA-C-O 121.684 0.619 . . . . 2.07 111.508 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.694 ' HB3' HD22 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -125.03 170.2 11.39 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.124 -1.398 . . . . 2.4 107.735 177.392 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.615 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -157.84 152.76 23.99 Favored Glycine 0 N--CA 1.436 -1.353 0 C-N-CA 119.503 -1.332 . . . . 1.34 112.592 175.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.4 t -64.77 112.99 3.49 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.187 -0.507 . . . . 1.27 110.255 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.73 -14.16 19.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.677 0.751 . . . . 3.94 111.298 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -48.71 6.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.327 -0.851 . . . . 1.76 112.225 -175.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.427 ' SG ' ' HD3' ' A' ' 67' ' ' LYS . 26.6 p -116.29 -20.06 9.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.424 0.63 . . . . 1.32 109.639 -167.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.57 19.35 41.44 Favored Glycine 0 N--CA 1.437 -1.274 0 CA-C-N 114.987 -1.006 . . . . 1.31 114.448 166.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.427 ' HD3' ' SG ' ' A' ' 65' ' ' CYS . 4.0 mptp? -93.44 128.84 39.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.864 -0.421 . . . . 2.43 109.864 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.615 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -92.22 146.07 24.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.174 0.511 . . . . 1.39 111.676 -178.619 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 74' ' ' LEU . 43.7 m-85 -123.22 150.42 43.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.441 -0.8 . . . . 1.33 111.694 178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -73.11 -40.3 65.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.503 -1.226 . . . . 3.89 110.86 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.932 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 5.6 mp -105.19 148.05 27.34 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.096 -0.502 . . . . 1.92 110.668 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.645 HD12 ' CD2' ' A' ' 60' ' ' TYR . 12.3 mm -69.76 -41.35 79.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.59 -0.732 . . . . 1.59 109.372 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 19.3 m -67.81 -28.74 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.931 -0.577 . . . . 1.77 110.38 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.932 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.68 -49.68 74.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-O 121.386 0.612 . . . . 1.15 110.86 176.215 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 60' ' ' TYR . 12.6 tp -70.27 -30.46 67.49 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.137 -0.938 . . . . 1.08 109.879 176.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -65.42 -38.58 90.35 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.134 -0.939 . . . . 1.34 109.344 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.604 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -77.68 -21.03 52.68 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.041 -0.981 . . . . 0.64 110.386 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -76.36 -36.15 58.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.717 -0.674 . . . . 0.72 109.64 172.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 79' ' ' LYS . 2.7 tppp? -70.64 -36.82 73.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.245 -1.02 . . . . 2.06 108.245 177.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 1.033 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.4 ttmt -61.76 -45.32 94.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.526 -1.215 . . . . 0.85 110.467 171.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -57.91 -41.43 82.65 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.254 -0.43 . . . . 3.88 112.071 -176.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -71.82 -31.25 66.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.58 0.228 . . . . 1.03 111.56 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.1 m -101.37 13.37 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.899 0.38 . . . . 1.45 111.063 -174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.26 -58.2 5.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.67 111.32 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 1.033 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 7.6 pt-20 . . . . . 0 N--CA 1.442 -0.831 0 N-CA-C 109.035 -0.728 . . . . 2.0 109.035 175.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.51 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.9 mmm180 . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 121.932 0.872 . . . . 2.3 111.121 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.63 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.1 m-85 -92.35 157.04 16.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.397 -1.274 . . . . 0.83 109.941 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.61 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 19.1 ptt180 -127.04 148.91 50.11 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 108.942 -0.762 . . . . 3.33 108.942 167.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.612 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 1.8 t -61.62 122.23 14.77 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.559 -1.2 . . . . 0.91 107.936 172.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.69 10.98 0.93 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.973 0.416 . . . . 1.6 111.018 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.43 ' OD1' ' CE1' ' A' ' 110' ' ' HIS . 1.8 p30 -120.18 -38.54 2.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.53 . . . . 2.13 111.471 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 p -130.48 2.34 4.57 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 120.042 -0.663 . . . . 1.15 110.331 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.57 32.73 84.3 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.147 -0.933 . . . . 1.01 114.296 173.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 41.7 mttm -81.61 134.7 35.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.968 0.384 . . . . 1.97 110.714 173.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.63 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -93.11 125.8 37.88 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.118 0.485 . . . . 0.87 110.815 -174.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.562 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 74.8 m-85 -125.59 141.41 52.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.288 -0.869 . . . . 0.62 109.93 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.51 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 73.1 p -83.85 -12.75 55.11 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.536 -0.756 . . . . 0.61 110.136 -177.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 102' ' ' ASN . 43.0 m -125.23 129.5 50.19 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.784 -1.098 . . . . 0.79 109.617 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.457 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 19.1 p -68.13 -27.12 66.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.084 -0.507 . . . . 0.74 111.24 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.406 ' H ' HG22 ' A' ' 99' ' ' THR . . . -78.68 -38.69 23.41 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.908 -0.663 . . . . 0.71 112.732 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.569 ' H ' HG22 ' A' ' 99' ' ' THR . 11.1 m120 -60.63 -40.38 91.72 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 107.736 -1.209 . . . . 1.4 107.736 172.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 88' ' ' TYR . 12.9 tp -60.79 -59.45 5.36 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 113.515 -1.675 . . . . 0.54 109.099 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.632 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -40.07 -54.2 2.3 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.028 1.331 . . . . 2.27 112.717 176.535 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.614 ' O ' HG13 ' A' ' 109' ' ' VAL . 48.3 mtt180 -49.73 -50.39 44.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.543 . . . . 4.34 110.637 175.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.612 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 68.3 t60 -66.69 -17.83 65.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.187 -0.915 . . . . 0.96 111.607 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.632 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 9.4 mt-30 -85.53 -30.8 23.12 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.501 -1.296 . . . . 1.53 107.501 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -76.68 -27.9 55.72 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-N 113.158 -1.837 . . . . 1.18 110.083 -176.393 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 105' ' ' ARG . 5.0 m -69.41 -17.27 21.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 C-N-CA 119.587 -0.845 . . . . 1.27 109.908 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.43 ' CE1' ' OD1' ' A' ' 92' ' ' ASP . 73.6 m80 . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 115.623 -0.717 . . . . 1.32 111.265 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 CA-C-O 121.872 0.697 . . . . 2.07 111.309 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' HD22 ' A' ' 75' ' ' LEU . 26.1 m-85 -119.69 103.57 9.5 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.561 -1.2 . . . . 2.4 109.224 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.787 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -112.59 145.76 18.15 Favored Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 119.361 -1.4 . . . . 1.34 113.945 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.553 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 45.7 t -61.01 137.51 58.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.666 -1.267 . . . . 1.27 111.496 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.41 -30.9 62.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.329 -0.851 . . . . 3.94 110.51 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -91.75 -34.98 14.39 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.601 -0.727 . . . . 1.76 112.897 -166.006 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.458 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 23.1 p -115.0 -29.64 6.62 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.854 -0.795 . . . . 1.32 108.854 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 91.51 18.56 44.72 Favored Glycine 0 N--CA 1.433 -1.526 0 CA-C-N 114.363 -1.29 . . . . 1.31 113.642 172.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -88.58 131.0 35.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.782 -0.451 . . . . 2.43 109.782 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.787 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -95.07 138.72 32.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.28 0.562 . . . . 1.39 112.214 -174.728 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.518 ' CD2' HD22 ' A' ' 74' ' ' LEU . 38.4 m-85 -114.89 -178.87 3.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.182 -0.917 . . . . 1.33 110.418 175.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -102.7 -40.47 6.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.141 -0.481 . . . . 3.89 110.969 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 3.6 mp -101.03 151.0 22.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.219 -0.446 . . . . 1.92 110.729 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.559 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 18.5 mm -64.94 -46.9 90.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.601 -0.518 . . . . 1.59 109.601 174.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.431 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 14.6 m -62.55 -34.38 76.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.294 -0.412 . . . . 1.77 110.641 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.9 mt -56.21 -54.78 41.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.972 0.891 . . . . 1.15 111.546 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 60' ' ' TYR . 8.5 tp -72.08 -24.41 61.5 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.157 -1.383 . . . . 1.08 110.002 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -72.03 -37.13 69.81 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.577 -1.192 . . . . 1.34 109.36 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.524 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -80.21 -21.93 42.37 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.347 -0.842 . . . . 0.64 109.904 177.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 41.2 t60 -67.92 -42.53 80.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.25 -0.886 . . . . 0.72 109.188 170.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.83 ' HD2' HD23 ' A' ' 96' ' ' LEU . 36.1 ttmt -69.97 -38.26 76.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.247 -0.888 . . . . 2.06 108.993 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.944 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 24.9 ttmt -62.55 -36.3 82.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.202 -0.908 . . . . 0.85 110.797 172.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -65.97 -34.63 78.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.816 0.302 . . . . 3.88 111.816 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.573 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 83.3 m-70 -72.64 -47.47 47.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.738 0.304 . . . . 1.03 111.125 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.404 ' HB2' HG23 ' A' ' 98' ' ' THR . 63.1 p -73.82 -18.06 61.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.092 0.472 . . . . 1.45 110.61 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.89 -48.02 0.99 Allowed Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 109.862 -1.295 . . . . 0.67 109.862 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.944 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 9.2 pt-20 . . . . . 0 N--CA 1.445 -0.683 0 N-CA-C 109.008 -0.738 . . . . 2.0 109.008 172.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 46.8 mmm-85 . . . . . 0 N--CA 1.437 -1.097 0 CA-C-O 121.637 0.732 . . . . 2.3 111.519 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.645 ' HB3' HD22 ' A' ' 103' ' ' LEU . 18.8 m-85 -86.93 154.98 20.4 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.277 -1.329 . . . . 0.83 109.837 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 21.8 ptt180 -126.58 154.17 44.28 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.623 0.725 . . . . 3.33 109.52 169.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.428 ' HB3' ' H ' ' A' ' 95' ' ' LYS . 43.7 t -66.92 113.22 4.78 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 114.622 -1.172 . . . . 0.91 108.401 169.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.52 1.41 1.2 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.155 0.502 . . . . 1.6 111.033 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 90' ' ' CYS . 12.0 t70 -104.36 -46.24 4.45 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.226 -0.443 . . . . 2.13 110.113 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.693 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 8.6 p -129.45 -2.92 4.9 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 118.911 -1.116 . . . . 1.15 111.669 -174.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.02 39.71 45.13 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.511 -0.768 . . . . 1.01 114.165 167.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.693 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 56.9 mttt -91.28 136.63 32.97 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.183 -0.673 . . . . 1.97 109.183 173.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.83 HD23 ' HD2' ' A' ' 79' ' ' LYS . 3.5 mm? -96.94 122.57 40.07 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.011 0.434 . . . . 0.87 111.221 -172.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 78.5 m-85 -118.82 137.42 53.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.578 -0.737 . . . . 0.62 110.175 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 85' ' ' GLU . 49.0 p -79.1 -4.73 51.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.733 0.778 . . . . 0.61 110.134 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.47 HG22 ' H ' ' A' ' 101' ' ' GLY . 86.0 m -135.56 129.77 33.49 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.461 -1.245 . . . . 0.79 109.465 -175.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 59.9 p -71.56 -23.54 61.77 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.167 -0.308 . . . . 0.74 110.167 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 99' ' ' THR . . . -76.24 -43.47 20.66 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.1 -0.571 . . . . 0.71 112.44 174.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.97 -37.19 81.54 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.199 -1.037 . . . . 1.4 108.199 173.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 88' ' ' TYR . 17.8 tp -64.72 -51.91 59.88 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 113.695 -1.593 . . . . 0.54 108.998 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.616 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 40.5 ttmt -49.84 -49.78 47.8 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.59 -1.186 . . . . 2.27 111.572 179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.522 ' O ' HG13 ' A' ' 109' ' ' VAL . 19.4 mmm180 -51.08 -44.2 61.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.444 0.64 . . . . 4.34 110.404 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.656 ' CE1' ' HD2' ' A' ' 95' ' ' LYS . 71.2 t60 -76.48 -15.65 59.85 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.92 -1.037 . . . . 0.96 111.411 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.616 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.4 mm100 -85.39 -27.89 25.51 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.816 -1.55 . . . . 1.53 106.816 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -80.45 -13.7 58.9 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-N 113.315 -1.766 . . . . 1.18 110.858 -176.47 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 106' ' ' HIS . 7.0 m -83.66 -17.62 10.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 C-N-CA 119.782 -0.767 . . . . 1.27 109.496 174.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 71.4 m80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.434 -0.803 . . . . 1.32 110.434 176.06 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo . . . . . 0 N--CA 1.453 -0.891 0 CA-C-O 121.747 0.645 . . . . 2.07 110.951 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -106.12 102.24 11.67 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.117 -1.401 . . . . 2.4 108.568 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.82 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -115.5 150.28 18.7 Favored Glycine 0 N--CA 1.425 -2.04 0 C-N-CA 119.131 -1.509 . . . . 1.34 114.905 -167.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -71.94 103.7 3.28 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 113.08 -1.56 . . . . 1.27 109.637 177.608 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.48 -6.58 11.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.038 0.923 . . . . 3.94 109.999 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -38.14 13.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.533 -1.212 . . . . 1.76 112.354 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 11.9 p -127.17 -18.58 4.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.217 0.532 . . . . 1.32 110.679 -174.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.79 26.62 19.23 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-N 115.558 -0.747 . . . . 1.31 114.055 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -110.89 130.39 55.59 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.868 -0.419 . . . . 2.43 109.868 174.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.82 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -104.99 143.52 33.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.051 0.453 . . . . 1.39 111.482 -176.79 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CD2' HD22 ' A' ' 74' ' ' LEU . 31.3 m-85 -113.59 168.92 9.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.403 -0.817 . . . . 1.33 111.943 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.472 ' C ' HD13 ' A' ' 71' ' ' LEU . 25.0 ttt180 -83.94 -41.97 16.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.14 -0.936 . . . . 3.89 110.761 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.629 HD22 HD12 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -111.99 164.59 12.95 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.613 -0.267 . . . . 1.92 110.654 179.743 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 15.6 mm -71.08 -42.9 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 109.52 -0.548 . . . . 1.59 109.52 174.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -61.82 -34.94 76.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.101 -0.5 . . . . 1.77 110.506 177.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.629 HD12 HD22 ' A' ' 71' ' ' LEU . 1.7 mt -57.18 -54.68 44.08 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.694 0.759 . . . . 1.15 111.324 175.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.2 tp -72.14 -24.13 61.41 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.713 -1.13 . . . . 1.08 109.623 -178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.2 t-20 -68.01 -37.44 81.44 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.698 -1.137 . . . . 1.34 108.959 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.66 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 1.5 mm? -78.89 -29.79 44.56 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 115.308 -0.86 . . . . 0.64 110.217 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.452 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 67.2 t60 -66.58 -37.76 85.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.537 0.684 . . . . 0.72 109.358 172.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HG3' HD23 ' A' ' 96' ' ' LEU . 17.0 tppt? -73.35 -33.41 65.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.332 -0.849 . . . . 2.06 109.091 178.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.997 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.0 ttmt -67.59 -31.86 72.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.346 -0.843 . . . . 0.85 110.134 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 33.0 mmt180 -59.95 -49.32 78.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.9 0.381 . . . . 3.88 111.301 176.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.452 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 91.7 m-70 -65.59 -33.04 74.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 1.03 111.797 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.7 p -95.02 1.76 55.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.99 0.424 . . . . 1.45 111.638 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.86 -54.74 4.98 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.364 -1.094 . . . . 0.67 110.364 -172.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.997 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 11.3 pt-20 . . . . . 0 N--CA 1.44 -0.96 0 N-CA-C 108.602 -0.888 . . . . 2.0 108.602 169.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.716 ' HG3' ' HA ' ' A' ' 98' ' ' THR . 22.5 mmm-85 . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 121.295 0.569 . . . . 2.3 111.079 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.691 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 5.2 m-85 -94.7 147.37 23.39 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.339 -0.846 . . . . 0.83 110.287 178.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.757 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 14.4 mtt180 -108.8 154.39 22.14 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.869 0.842 . . . . 3.33 109.359 170.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.557 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 3.3 t -75.76 116.18 16.21 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 106.893 -1.521 . . . . 0.91 106.893 168.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.23 0.03 0.2 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.286 0.476 . . . . 1.6 112.286 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.451 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.3 p30 -113.02 -40.88 3.84 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 111.495 0.183 . . . . 2.13 111.495 -178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.619 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.2 p -130.43 2.54 4.61 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 119.873 -0.731 . . . . 1.15 110.996 -170.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.39 39.07 94.33 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.09 -0.959 . . . . 1.01 114.586 173.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.674 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 38.5 mtpt -80.11 145.78 32.22 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 109.024 -0.732 . . . . 1.97 109.024 169.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.757 ' CD1' ' HG3' ' A' ' 89' ' ' ARG . 3.9 mm? -103.3 118.56 37.04 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.438 0.637 . . . . 0.87 110.713 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.569 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 89.9 m-85 -116.63 139.87 50.04 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.152 -0.931 . . . . 0.62 109.981 177.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.716 ' HA ' ' HG3' ' A' ' 87' ' ' ARG . 71.2 p -88.76 11.38 17.88 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.872 0.844 . . . . 0.61 110.549 -175.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.57 HG22 ' H ' ' A' ' 102' ' ' ASN . 6.6 m -155.31 130.34 9.43 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 114.824 -1.08 . . . . 0.79 108.667 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.466 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 72.4 p -65.8 -25.95 67.47 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.3 -0.409 . . . . 0.74 110.732 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.62 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -71.87 -47.51 32.0 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.948 -0.644 . . . . 0.71 112.155 174.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.57 ' H ' HG22 ' A' ' 99' ' ' THR . 13.4 m120 -55.42 -40.28 71.3 Favored 'General case' 0 CA--C 1.494 -1.2 0 N-CA-C 108.419 -0.956 . . . . 1.4 108.419 173.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 88' ' ' TYR . 20.6 tp -64.72 -51.93 59.8 Favored 'General case' 0 N--CA 1.421 -1.903 0 CA-C-N 113.75 -1.568 . . . . 0.54 109.311 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.617 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 41.4 ttmt -52.46 -48.26 65.96 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.418 -1.264 . . . . 2.27 111.775 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 43.5 mtm180 -56.2 -38.93 71.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.418 0.628 . . . . 4.34 109.98 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.713 ' O ' HG22 ' A' ' 109' ' ' VAL . 79.4 t60 -76.94 -18.59 58.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.343 -0.844 . . . . 0.96 111.236 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.617 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -81.44 -27.49 34.65 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 106.552 -1.647 . . . . 1.53 106.552 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -83.14 -8.43 59.51 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 112.907 -1.951 . . . . 1.18 111.335 -175.262 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -87.06 -21.09 7.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 119.676 -0.809 . . . . 1.27 108.931 172.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.532 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 73.6 m-70 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.289 -0.869 . . . . 1.32 109.791 175.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 CA-C-O 121.804 0.668 . . . . 2.07 112.061 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.423 ' HB3' HD22 ' A' ' 75' ' ' LEU . 28.6 m-85 -93.12 97.33 10.61 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.524 -1.216 . . . . 2.4 108.319 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.685 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -117.98 143.57 17.77 Favored Glycine 0 N--CA 1.434 -1.459 0 C-N-CA 119.693 -1.241 . . . . 1.34 114.519 -169.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.531 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 3.1 t -69.8 104.05 2.35 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.451 -1.375 . . . . 1.27 109.871 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.06 0.75 5.53 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.625 0.726 . . . . 3.94 110.872 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.531 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 2.3 tt0 -81.86 -46.99 13.36 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.947 -1.024 . . . . 1.76 110.736 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.508 ' HG ' ' HG ' ' A' ' 62' ' ' CYS . 1.8 p -123.13 -16.53 6.95 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.546 0.689 . . . . 1.32 110.242 -171.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.97 29.06 12.15 Favored Glycine 0 N--CA 1.435 -1.408 0 CA-C-N 115.105 -0.952 . . . . 1.31 113.921 169.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -110.26 128.98 55.8 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.959 -0.385 . . . . 2.43 109.959 176.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.685 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -105.04 138.7 40.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.086 0.47 . . . . 1.39 111.072 -179.323 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 61.3 m-85 -115.65 158.17 23.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.786 -0.643 . . . . 1.33 111.501 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -74.34 -40.56 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.048 -0.978 . . . . 3.89 110.825 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 8.3 mp -108.79 154.99 21.28 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.846 -0.615 . . . . 1.92 111.697 -175.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 21.3 mm -66.59 -42.53 90.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.92 -1.036 . . . . 1.59 109.766 171.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 12.9 m -66.74 -32.2 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.12 0.486 . . . . 1.77 110.407 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.8 mt -59.63 -54.46 46.14 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.711 0.767 . . . . 1.15 111.249 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.9 tp -71.35 -24.08 62.03 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.482 -1.235 . . . . 1.08 109.686 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -67.63 -41.8 83.3 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.504 -1.225 . . . . 1.34 109.354 176.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.7 mm? -78.07 -19.72 53.7 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.235 -0.893 . . . . 0.64 110.286 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -68.97 -44.7 72.37 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.086 -0.709 . . . . 0.72 109.086 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HD2' HD23 ' A' ' 96' ' ' LEU . 36.4 ttmt -68.66 -40.28 80.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.902 -1.044 . . . . 2.06 108.913 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.783 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.2 ttmt -64.91 -34.83 79.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.017 -0.992 . . . . 0.85 110.768 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -62.42 -38.07 88.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.671 -0.241 . . . . 3.88 111.461 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -61.33 -39.04 89.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 1.03 112.126 -176.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p -105.16 17.6 23.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.928 0.394 . . . . 1.45 111.317 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.42 -55.6 4.97 Favored Glycine 0 CA--C 1.507 -0.423 0 N-CA-C 111.402 -0.679 . . . . 0.67 111.402 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 1.068 ' HG3' ' HE ' ' A' ' 87' ' ' ARG . 1.3 pm0 . . . . . 0 N--CA 1.435 -1.187 0 N-CA-C 108.569 -0.9 . . . . 2.0 108.569 172.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 1.068 ' HE ' ' HG3' ' A' ' 85' ' ' GLU . 16.2 mmt85 . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 121.739 0.78 . . . . 2.3 111.137 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 24.5 m-85 -88.87 156.42 18.94 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.709 -1.132 . . . . 0.83 109.659 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 23.4 ptt180 -127.0 152.55 47.07 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 108.268 -1.012 . . . . 3.33 108.268 167.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.666 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 0.5 OUTLIER -68.97 112.79 5.84 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.247 -1.39 . . . . 0.91 107.247 170.01 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.81 9.34 0.19 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.611 0.641 . . . . 1.6 111.99 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.482 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.5 p30 -117.76 -35.17 3.99 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.14 -0.482 . . . . 2.13 111.291 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.6 p -130.04 -0.44 4.69 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.585 0.707 . . . . 1.15 110.441 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.75 34.88 84.28 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 114.915 -1.039 . . . . 1.01 114.377 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 42.4 mttp -82.48 131.33 35.22 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 110.275 -0.268 . . . . 1.97 110.275 170.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.592 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.2 mm? -92.1 123.88 35.78 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.249 0.547 . . . . 0.87 110.426 -176.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.566 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 56.9 m-85 -121.44 137.07 54.87 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.473 -0.785 . . . . 0.62 110.01 176.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.456 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 73.0 p -87.38 -5.35 58.9 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.334 -0.848 . . . . 0.61 110.107 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 102' ' ' ASN . 53.8 m -126.61 128.25 46.5 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.575 -1.193 . . . . 0.79 108.516 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 51.4 p -71.83 -24.65 61.74 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.52 -0.309 . . . . 0.74 110.522 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.499 ' HA2' ' HB3' ' A' ' 104' ' ' LYS . . . -75.42 -38.87 37.31 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.68 -0.771 . . . . 0.71 112.402 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.529 ' H ' HG22 ' A' ' 99' ' ' THR . 12.1 m120 -60.82 -40.38 92.54 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 107.932 -1.136 . . . . 1.4 107.932 172.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.583 HD22 ' CB ' ' A' ' 88' ' ' TYR . 15.8 tp -63.5 -55.69 22.02 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 113.538 -1.665 . . . . 0.54 109.555 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.564 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 27.6 ttmt -47.14 -51.62 17.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.406 -1.27 . . . . 2.27 112.708 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.47 ' O ' HG13 ' A' ' 109' ' ' VAL . 49.8 mtt180 -57.0 -38.83 73.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.5 0.667 . . . . 4.34 110.007 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.666 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 56.4 t60 -75.54 -16.34 60.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.959 -1.019 . . . . 0.96 111.168 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.564 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.7 mm-40 -85.71 -27.21 25.45 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.204 -1.406 . . . . 1.53 107.204 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -82.07 -11.4 58.81 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 113.306 -1.77 . . . . 1.18 111.133 -176.117 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 106' ' ' HIS . 10.2 m -82.88 -20.99 9.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 C-N-CA 119.811 -0.756 . . . . 1.27 108.966 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.4 m80 . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 115.507 -0.769 . . . . 1.32 110.331 176.89 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 CA-C-O 121.907 0.711 . . . . 2.07 112.713 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -124.96 91.03 3.35 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.488 -1.233 . . . . 2.4 107.771 171.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.957 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -109.46 147.41 16.99 Favored Glycine 0 N--CA 1.432 -1.61 0 C-N-CA 119.862 -1.161 . . . . 1.34 113.766 -169.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.65 112.31 6.05 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.961 -1.12 . . . . 1.27 109.478 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.3 -1.11 16.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.172 0.51 . . . . 3.94 111.933 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.42 -40.69 9.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.128 0.418 . . . . 1.76 112.128 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 p -121.81 -0.56 9.58 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.018 0.913 . . . . 1.32 109.226 -171.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.74 36.7 92.63 Favored Glycine 0 N--CA 1.436 -1.351 0 CA-C-N 113.903 -1.499 . . . . 1.31 113.394 173.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -110.85 109.61 19.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.81 -0.441 . . . . 2.43 109.81 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.957 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -88.49 143.73 26.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.195 0.521 . . . . 1.39 110.601 -178.482 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.596 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 34.8 m-85 -120.59 166.02 14.22 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.511 -0.768 . . . . 1.33 110.994 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.491 ' C ' HD13 ' A' ' 71' ' ' LEU . 21.6 mmm180 -80.89 -41.16 23.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.769 -0.651 . . . . 3.89 111.256 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -112.07 161.54 16.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 121.101 -0.24 . . . . 1.92 110.385 -179.727 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.461 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 9.2 mm -68.48 -42.5 83.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.456 -0.572 . . . . 1.59 109.456 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 77' ' ' LEU . 8.9 m -62.05 -35.73 79.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.082 0.467 . . . . 1.77 110.653 177.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 71' ' ' LEU . 1.6 mt -56.1 -55.48 32.46 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.671 0.748 . . . . 1.15 111.35 174.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.3 tp -69.26 -25.81 64.46 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 114.547 -1.206 . . . . 1.08 109.904 -178.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -70.49 -36.71 73.99 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.837 -1.074 . . . . 1.34 109.098 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.579 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.9 mm? -80.6 -19.95 44.36 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.026 -0.988 . . . . 0.64 110.044 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -70.05 -43.09 71.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 0.72 109.466 169.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -70.4 -34.74 72.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.325 -0.852 . . . . 2.06 109.058 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.844 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 27.7 ttmt -66.07 -38.74 89.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.863 -1.062 . . . . 0.85 110.059 171.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -59.96 -40.96 90.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.145 -0.479 . . . . 3.88 111.587 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -57.32 -41.86 80.73 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.886 0.374 . . . . 1.03 111.432 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -95.72 9.36 40.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.133 0.492 . . . . 1.45 110.504 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.88 -58.24 4.92 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.61 -0.996 . . . . 0.67 110.61 -172.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.844 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.0 pm0 . . . . . 0 N--CA 1.433 -1.321 0 N-CA-C 108.671 -0.863 . . . . 2.0 108.671 171.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.666 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 30.2 mmm180 . . . . . 0 N--CA 1.447 -0.595 0 CA-C-O 121.092 0.472 . . . . 2.3 111.469 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.8 m-85 -87.38 159.67 18.64 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.288 -0.869 . . . . 0.83 110.052 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 27.2 ptt-85 -126.53 151.71 47.5 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 108.235 -1.024 . . . . 3.33 108.235 166.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.625 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 0.8 OUTLIER -65.14 115.45 5.5 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 107.63 -1.248 . . . . 0.91 107.63 172.362 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.87 12.95 0.11 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.908 0.385 . . . . 1.6 111.702 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.6 p30 -120.54 -37.54 3.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.232 -0.44 . . . . 2.13 111.579 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.455 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.9 p -131.23 4.43 4.38 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.401 0.619 . . . . 1.15 111.027 -173.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.88 34.46 82.96 Favored Glycine 0 C--N 1.333 0.386 0 CA-C-N 115.039 -0.982 . . . . 1.01 114.458 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 49.1 mttp -85.58 129.69 34.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.264 -0.273 . . . . 1.97 110.264 173.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.4 mm? -87.37 121.2 29.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.195 0.521 . . . . 0.87 110.77 -176.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.584 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 66.1 m-85 -119.18 129.54 55.04 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.446 -0.797 . . . . 0.62 110.089 176.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.666 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 39.9 p -72.44 -12.78 61.24 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.655 -1.157 . . . . 0.61 110.897 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.673 HG22 ' H ' ' A' ' 102' ' ' ASN . 8.7 m -131.34 129.42 41.38 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 114.992 -1.004 . . . . 0.79 108.917 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 22.5 p -68.26 -29.05 67.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.294 -0.412 . . . . 0.74 110.879 -176.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -70.29 -40.84 69.74 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.963 -0.637 . . . . 0.71 112.468 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.673 ' H ' HG22 ' A' ' 99' ' ' THR . 96.3 m-20 -62.98 -39.02 93.46 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.41 -0.959 . . . . 1.4 108.41 173.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 97' ' ' PHE . 12.4 tp -62.5 -52.18 64.49 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 113.935 -1.484 . . . . 0.54 109.203 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.575 ' O ' HD13 ' A' ' 108' ' ' LEU . 53.5 mttm -48.19 -49.64 32.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.556 -1.202 . . . . 2.27 112.037 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.531 ' O ' HG13 ' A' ' 109' ' ' VAL . 26.3 mmm180 -54.99 -42.97 73.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.1 0.476 . . . . 4.34 110.046 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.654 ' O ' HG22 ' A' ' 109' ' ' VAL . 65.9 t60 -73.73 -16.53 61.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.458 -0.792 . . . . 0.96 111.291 178.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.559 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 3.9 mm-40 -83.85 -30.59 26.35 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.507 -1.294 . . . . 1.53 107.507 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -78.18 -22.21 48.99 Favored 'General case' 0 C--O 1.205 -1.271 0 CA-C-N 113.436 -1.711 . . . . 1.18 110.515 -175.243 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.9 m -72.39 -21.19 20.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 C-N-CA 119.71 -0.796 . . . . 1.27 109.602 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 71.7 m80 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.642 -0.708 . . . . 1.32 111.203 178.277 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 N--CA 1.447 -1.222 0 CA-C-O 121.887 0.703 . . . . 2.07 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.417 ' CE2' HG12 ' A' ' 72' ' ' ILE . 64.3 m-85 -125.39 96.3 4.77 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.278 -1.328 . . . . 2.4 108.848 -175.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 1.0 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -105.95 145.02 15.88 Favored Glycine 0 N--CA 1.428 -1.888 0 C-N-CA 119.915 -1.136 . . . . 1.34 113.597 -169.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.465 ' C ' ' H ' ' A' ' 64' ' ' GLU . 3.6 t -71.37 100.07 2.09 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 113.962 -1.119 . . . . 1.27 109.314 176.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -69.93 3.41 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.866 0.841 . . . . 3.94 110.444 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 62' ' ' CYS . 1.1 tt0 -90.46 -43.07 10.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.39 -1.277 . . . . 1.76 111.446 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.5 p -122.48 -19.12 6.48 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.581 0.705 . . . . 1.32 110.05 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.88 28.43 12.15 Favored Glycine 0 N--CA 1.429 -1.785 0 CA-C-N 114.974 -1.012 . . . . 1.31 113.637 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.57 123.86 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.776 -0.453 . . . . 2.43 109.776 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 1.0 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -99.82 145.82 27.3 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.378 -0.529 . . . . 1.39 110.76 -178.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 30.0 m-85 -117.81 160.1 21.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.847 -0.615 . . . . 1.33 111.822 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . 2.9 tpm_? -73.14 -38.14 66.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.057 -0.974 . . . . 3.89 110.964 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.603 ' HG ' HD12 ' A' ' 74' ' ' LEU . 17.6 mt -120.3 168.21 11.5 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.153 0.501 . . . . 1.92 111.177 -175.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.5 mm -70.09 -53.02 25.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.304 -0.862 . . . . 1.59 110.157 175.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 m -60.44 -30.23 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.236 0.541 . . . . 1.77 110.541 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.603 HD12 ' HG ' ' A' ' 71' ' ' LEU . 3.2 mt -59.59 -55.3 36.26 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.589 -0.732 . . . . 1.15 111.949 174.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.4 tp -72.27 -24.55 61.37 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.201 -0.909 . . . . 1.08 109.27 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.1 t-20 -67.37 -38.92 85.52 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.778 -1.101 . . . . 1.34 109.138 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 3.0 mm? -79.99 -19.53 47.59 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.203 -0.908 . . . . 0.64 110.417 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -72.6 -41.22 65.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.65 -0.704 . . . . 0.72 109.369 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -70.09 -40.48 74.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.731 -0.84 . . . . 2.06 108.731 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 1.066 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.9 ttmt -65.85 -22.78 66.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.503 -1.226 . . . . 0.85 110.618 174.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -75.39 -24.87 57.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 3.88 111.506 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -82.31 -51.13 8.2 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.431 0.53 . . . . 1.03 112.431 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.4 t -104.33 30.95 4.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.932 0.396 . . . . 1.45 111.53 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.15 -53.72 4.79 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.173 -0.771 . . . . 0.67 111.173 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 1.066 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 7.8 pt-20 . . . . . 0 N--CA 1.445 -0.714 0 CA-C-O 121.069 0.462 . . . . 2.0 109.795 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.858 ' HD2' ' HA ' ' A' ' 98' ' ' THR . 97.7 mtt180 . . . . . 0 N--CA 1.441 -0.894 0 CA-C-O 122.25 1.024 . . . . 2.3 112.879 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.678 ' HB3' HD22 ' A' ' 103' ' ' LEU . 40.5 m-85 -83.68 151.85 25.05 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 113.416 -1.72 . . . . 0.83 109.936 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 36.5 ptt180 -123.48 152.58 41.54 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 120.05 -0.66 . . . . 3.33 109.466 166.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.43 ' HB3' ' H ' ' A' ' 95' ' ' LYS . 41.9 t -58.18 116.59 3.66 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.789 -1.189 . . . . 0.91 107.789 170.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.402 ' H ' ' HG2' ' A' ' 91' ' ' GLU . 8.8 pt-20 -76.48 16.2 0.51 Allowed 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.272 0.558 . . . . 1.6 110.27 -176.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 90' ' ' CYS . 3.0 t70 -120.76 -39.17 2.76 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.743 -0.662 . . . . 2.13 111.018 175.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.702 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 14.7 p -125.79 -19.07 4.98 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 119.23 -0.988 . . . . 1.15 111.607 -177.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 90' ' ' CYS . . . 93.22 34.77 6.57 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 114.381 0.512 . . . . 1.01 114.381 169.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.702 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 65.5 mttt -87.01 134.24 33.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.085 -0.339 . . . . 1.97 110.085 174.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.647 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -88.11 123.03 32.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.153 0.501 . . . . 0.87 110.734 -176.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.527 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 81.3 m-85 -118.29 143.21 46.76 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.379 -0.828 . . . . 0.62 110.212 175.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.858 ' HA ' ' HD2' ' A' ' 87' ' ' ARG . 42.8 p -89.02 -11.69 43.47 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.067 -0.969 . . . . 0.61 110.091 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 102' ' ' ASN . 53.6 m -120.71 127.78 52.34 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.093 -0.958 . . . . 0.79 108.906 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 104' ' ' LYS . 18.6 p -72.22 -23.75 61.28 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.445 -0.343 . . . . 0.74 110.489 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.663 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -73.43 -42.3 41.87 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.734 -0.746 . . . . 0.71 112.602 174.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.557 ' H ' HG22 ' A' ' 99' ' ' THR . 11.4 m120 -63.0 -34.54 77.78 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.176 -1.046 . . . . 1.4 108.176 173.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.678 HD22 ' HB3' ' A' ' 88' ' ' TYR . 10.9 tp -66.96 -52.67 39.96 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-N 114.333 -1.303 . . . . 0.54 109.928 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 101' ' ' GLY . 36.4 pttt -58.54 -42.06 86.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.336 -1.302 . . . . 2.27 111.593 -175.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.663 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 42.6 mtm180 -63.2 -35.73 81.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 4.34 109.583 176.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.658 ' CE1' ' HD2' ' A' ' 95' ' ' LYS . 58.5 t60 -73.32 -17.78 61.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.634 -1.166 . . . . 0.96 111.256 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 12.7 mm-40 -85.28 -27.58 25.89 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.778 -1.193 . . . . 1.53 107.778 178.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -82.97 -13.16 56.52 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 113.358 -1.746 . . . . 1.18 111.019 -175.757 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 106' ' ' HIS . 11.3 m -81.08 -19.47 11.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 N-CA-C 108.79 -0.818 . . . . 1.27 108.79 173.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.361 -0.836 . . . . 1.32 110.677 176.042 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo . . . . . 0 N--CA 1.451 -1.027 0 CA-C-O 121.715 0.631 . . . . 2.07 112.83 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.501 ' HB3' HD22 ' A' ' 75' ' ' LEU . 45.0 m-85 -123.3 100.86 7.05 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.456 -1.247 . . . . 2.4 108.49 171.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.71 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -114.13 144.66 18.33 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 119.983 -1.103 . . . . 1.34 113.471 -171.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.2 t -60.42 124.84 21.55 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.226 -0.987 . . . . 1.27 109.911 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.78 -11.1 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.481 0.658 . . . . 3.94 110.25 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.442 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -92.17 -40.35 11.06 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.402 -0.817 . . . . 1.76 112.128 -172.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.442 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 18.3 p -118.19 -25.67 6.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.868 0.842 . . . . 1.32 109.665 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.85 20.9 35.22 Favored Glycine 0 N--CA 1.429 -1.796 0 CA-C-N 114.593 -1.185 . . . . 1.31 113.366 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.74 122.54 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.799 -0.445 . . . . 2.43 109.799 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.71 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -91.29 142.18 27.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 1.39 111.646 -177.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.531 ' CD2' HD22 ' A' ' 74' ' ' LEU . 54.4 m-85 -123.34 161.48 24.59 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.528 -0.76 . . . . 1.33 110.268 175.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.05 -36.08 17.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.768 -0.651 . . . . 3.89 110.271 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 2.7 mp -102.37 150.92 22.86 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.619 -0.719 . . . . 1.92 110.683 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 10.7 mm -65.57 -46.95 88.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 1.59 110.121 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 54.9 m -65.97 -27.87 68.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 1.77 110.64 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 2.0 mt -60.02 -54.7 42.87 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.711 0.767 . . . . 1.15 111.309 174.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 60' ' ' TYR . 11.5 tp -69.64 -27.25 64.9 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.46 -1.245 . . . . 1.08 109.976 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -69.49 -37.75 77.36 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.499 -1.228 . . . . 1.34 108.967 179.419 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.705 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 0.7 OUTLIER -76.99 -28.84 55.24 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 115.134 -0.939 . . . . 0.64 110.021 177.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.437 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 48.4 t60 -61.47 -41.76 97.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.72 109.745 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.77 ' HG2' HD23 ' A' ' 96' ' ' LEU . 1.2 tppp? -71.45 -26.57 62.78 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.63 -0.878 . . . . 2.06 108.63 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.581 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 32.0 ttmt -70.38 -38.92 74.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.223 -0.898 . . . . 0.85 110.086 171.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 38.0 mmt180 -54.41 -47.45 72.76 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.845 0.355 . . . . 3.88 111.411 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.437 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 79.1 m-70 -62.99 -22.13 66.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.642 -0.708 . . . . 1.03 112.777 -173.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.5 m -117.01 12.2 14.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.032 0.444 . . . . 1.45 110.663 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.71 -53.96 4.35 Favored Glycine 0 N--CA 1.453 -0.206 0 N-CA-C 111.405 -0.678 . . . . 0.67 111.405 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.581 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.3 pt-20 . . . . . 0 N--CA 1.431 -1.389 0 N-CA-C 107.544 -1.28 . . . . 2.0 107.544 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.596 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.3 mmm180 . . . . . 0 N--CA 1.437 -1.118 0 CA-C-O 121.446 0.641 . . . . 2.3 110.92 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.667 ' HB3' HD22 ' A' ' 103' ' ' LEU . 18.9 m-85 -97.17 151.41 19.85 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.837 -1.074 . . . . 0.83 111.414 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 38.2 mtt180 -109.87 155.22 21.96 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.611 -0.885 . . . . 3.33 108.611 168.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 92' ' ' ASP . 9.4 t -74.03 114.11 11.97 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 105.935 -1.876 . . . . 0.91 105.935 158.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.59 0.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.114 0.415 . . . . 1.6 111.408 -176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -108.92 -40.92 4.87 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 116.432 -0.349 . . . . 2.13 110.716 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 3.6 p -131.42 1.77 4.15 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 119.248 -0.981 . . . . 1.15 111.245 -170.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.92 39.22 95.24 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.309 -0.86 . . . . 1.01 113.585 171.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.667 ' HD2' ' CE1' ' A' ' 106' ' ' HIS . 85.0 mttt -80.43 131.25 35.56 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.286 -1.005 . . . . 1.97 108.286 166.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.77 HD23 ' HG2' ' A' ' 79' ' ' LYS . 4.1 mm? -96.53 114.55 26.22 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.221 0.534 . . . . 0.87 110.489 -174.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 58.6 m-85 -110.44 136.46 49.55 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 121.578 0.704 . . . . 0.62 110.182 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.596 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 71.3 p -81.7 -8.21 59.68 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.699 -1.137 . . . . 0.61 110.276 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 101' ' ' GLY . 40.7 m -132.12 128.72 38.72 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.699 -1.137 . . . . 0.79 109.284 176.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.527 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 5.3 p -66.91 -25.07 66.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.805 -0.634 . . . . 0.74 110.906 -177.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.641 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -73.04 -46.28 28.86 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.903 -0.665 . . . . 0.71 112.264 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.44 ' H ' HG22 ' A' ' 99' ' ' THR . 3.9 m-20 -56.01 -39.4 71.84 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.599 -0.889 . . . . 1.4 108.599 172.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.0 tp -63.53 -52.2 62.18 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-N 113.863 -1.517 . . . . 0.54 109.502 178.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.639 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 24.2 ttpp -50.93 -45.92 60.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.265 -1.334 . . . . 2.27 111.913 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 101' ' ' GLY . 27.8 mmt180 -56.57 -42.27 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 4.34 109.251 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.693 ' O ' HG22 ' A' ' 109' ' ' VAL . 79.7 t60 -75.76 -16.94 60.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.631 -1.168 . . . . 0.96 111.949 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.639 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.7 mm100 -82.26 -27.13 32.6 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 106.733 -1.58 . . . . 1.53 106.733 -178.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -80.41 -25.85 38.82 Favored 'General case' 0 C--O 1.2 -1.536 0 CA-C-N 112.914 -1.948 . . . . 1.18 110.614 -177.377 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.6 m -70.15 -22.92 24.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 C-N-CA 119.525 -0.87 . . . . 1.27 109.558 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.471 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 81.1 m-70 . . . . . 0 C--O 1.233 0.225 0 CA-C-N 115.862 -0.608 . . . . 1.32 111.272 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo . . . . . 0 N--CA 1.456 -0.715 0 CA-C-O 121.908 0.712 . . . . 2.07 111.353 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.813 ' HB3' HD22 ' A' ' 75' ' ' LEU . 3.8 m-30 -116.53 116.11 27.02 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 114.103 -1.408 . . . . 2.4 109.252 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.701 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -124.74 142.35 13.87 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 119.237 -1.458 . . . . 1.34 114.646 -171.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.436 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -63.45 123.47 18.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.798 -1.201 . . . . 1.27 110.017 177.094 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.51 -12.06 60.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.827 0.346 . . . . 3.94 111.739 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -35.34 11.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.123 0.786 . . . . 1.76 113.123 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 4.2 p -119.94 -3.05 10.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.917 0.865 . . . . 1.32 108.995 -174.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.12 37.77 95.03 Favored Glycine 0 N--CA 1.436 -1.358 0 CA-C-N 113.785 -1.552 . . . . 1.31 113.804 173.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -110.54 114.7 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.162 -0.31 . . . . 2.43 110.162 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.701 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -93.8 135.38 35.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.308 0.575 . . . . 1.39 111.047 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.595 ' CD2' HD22 ' A' ' 74' ' ' LEU . 37.0 m-85 -113.64 147.78 37.47 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.35 -0.841 . . . . 1.33 111.099 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -72.99 -38.38 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.624 -1.171 . . . . 3.89 111.108 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.858 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 3.9 mp -102.73 146.62 27.96 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.9 0.381 . . . . 1.92 110.208 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.66 HD12 ' CD2' ' A' ' 60' ' ' TYR . 5.1 mm -71.28 -39.2 72.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.929 -0.578 . . . . 1.59 109.652 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 15.4 m -70.9 -26.78 63.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.36 0.6 . . . . 1.77 110.066 176.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.858 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -61.14 -54.96 37.91 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.699 -0.682 . . . . 1.15 110.784 173.566 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 60' ' ' TYR . 7.6 tp -68.94 -27.77 66.04 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.415 -0.811 . . . . 1.08 109.765 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.6 t-20 -64.83 -37.78 88.78 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.12 -0.945 . . . . 1.34 109.646 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.506 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.7 mm? -81.51 -19.94 41.14 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.601 -0.727 . . . . 0.64 110.571 177.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.457 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 66.0 t60 -71.03 -41.4 70.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.759 -0.655 . . . . 0.72 109.711 171.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.561 ' HD3' ' CD2' ' A' ' 96' ' ' LEU . 13.7 ptpt -80.37 -24.17 39.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.171 -0.468 . . . . 2.06 109.93 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.703 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.2 ttmt -69.14 -37.12 78.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.85 109.664 168.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 81' ' ' ARG . 3.6 tmt_? -58.26 -49.95 75.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 3.88 111.738 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.457 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 89.4 m-70 -63.41 -36.7 84.61 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.073 0.397 . . . . 1.03 112.073 -175.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.3 m -88.56 -3.86 58.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.816 0.341 . . . . 1.45 110.955 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 91.11 -51.13 3.12 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 110.719 -0.952 . . . . 0.67 110.719 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.703 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 3.6 pt-20 . . . . . 0 N--CA 1.434 -1.263 0 N-CA-C 107.37 -1.345 . . . . 2.0 107.37 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.554 ' HD3' ' OE1' ' A' ' 85' ' ' GLU . 10.1 mmm180 . . . . . 0 N--CA 1.443 -0.792 0 CA-C-O 121.52 0.676 . . . . 2.3 110.996 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.676 ' HB3' HD22 ' A' ' 103' ' ' LEU . 19.5 m-85 -93.83 153.6 18.19 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.122 -0.944 . . . . 0.83 110.006 176.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 32.5 ptt180 -123.91 152.4 42.46 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 108.572 -0.899 . . . . 3.33 108.572 167.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.488 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 3.0 t -63.43 114.6 3.97 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.386 -1.339 . . . . 0.91 107.386 171.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.95 6.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.123 0.416 . . . . 1.6 112.123 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 90' ' ' CYS . 5.4 p30 -120.37 -32.99 3.98 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.625 -0.43 . . . . 2.13 111.97 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.931 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 7.8 p -129.06 -8.72 4.85 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 119.404 -0.918 . . . . 1.15 111.031 -174.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.47 35.7 40.97 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.423 -0.808 . . . . 1.01 113.52 169.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.931 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 73.7 mttt -89.34 130.72 35.67 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.774 -0.454 . . . . 1.97 109.774 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.561 ' CD2' ' HD3' ' A' ' 79' ' ' LYS . 3.5 mm? -91.51 120.61 32.47 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.145 0.497 . . . . 0.87 111.442 -172.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 82.0 m-85 -118.8 133.08 56.09 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.283 -0.871 . . . . 0.62 109.389 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.551 HG22 ' HG2' ' A' ' 85' ' ' GLU . 27.8 p -78.76 -9.5 59.46 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.547 -0.751 . . . . 0.61 109.978 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 102' ' ' ASN . 48.0 m -127.36 129.64 47.97 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.709 -1.132 . . . . 0.79 109.604 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 52.2 p -68.06 -27.63 66.68 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.132 -0.485 . . . . 0.74 111.214 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 104' ' ' LYS . . . -75.51 -39.15 36.07 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.757 -0.735 . . . . 0.71 112.514 174.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.555 ' H ' HG22 ' A' ' 99' ' ' THR . 95.0 m-20 -60.17 -41.26 92.48 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 108.29 -1.004 . . . . 1.4 108.29 172.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.3 tp -63.15 -55.89 21.39 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 113.859 -1.519 . . . . 0.54 109.508 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.567 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 27.7 ttmt -43.97 -53.15 6.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.322 -1.308 . . . . 2.27 112.728 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.6 ' HA ' HD22 ' A' ' 108' ' ' LEU . 38.3 ptt180 -62.17 -31.8 72.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.168 -0.613 . . . . 4.34 110.533 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.682 ' O ' HG22 ' A' ' 109' ' ' VAL . 73.3 t60 -76.92 -17.82 58.68 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.164 0.507 . . . . 0.96 110.917 174.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.567 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.4 mm100 -84.3 -25.47 29.27 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.089 -1.448 . . . . 1.53 107.089 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.6 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -81.7 -15.28 54.94 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 113.177 -1.828 . . . . 1.18 110.93 -177.107 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 106' ' ' HIS . 7.0 m -83.99 -20.45 8.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 C-N-CA 119.661 -0.816 . . . . 1.27 109.372 176.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.6 m80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.693 . . . . 1.32 110.523 176.776 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo . . . . . 0 N--CA 1.454 -0.843 0 CA-C-O 121.879 0.7 . . . . 2.07 112.651 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.446 ' HB3' HD22 ' A' ' 75' ' ' LEU . 22.1 m-85 -106.29 102.03 11.46 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 114.176 -1.374 . . . . 2.4 107.987 170.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.733 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -113.53 150.74 18.49 Favored Glycine 0 N--CA 1.431 -1.695 0 C-N-CA 119.439 -1.362 . . . . 1.34 114.15 -168.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.42 ' HG ' ' HG ' ' A' ' 65' ' ' CYS . 2.5 t -73.23 99.9 2.97 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 113.718 -1.241 . . . . 1.27 108.067 171.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.47 -5.43 23.89 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.945 0.879 . . . . 3.94 109.683 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.4 tt0 -76.21 -43.86 40.38 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.194 -1.366 . . . . 1.76 110.806 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.42 ' HG ' ' HG ' ' A' ' 62' ' ' CYS . 6.2 p -123.84 -19.41 5.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.457 0.646 . . . . 1.32 110.037 -173.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.41 31.61 8.26 Favored Glycine 0 N--CA 1.433 -1.511 0 CA-C-N 115.196 -0.911 . . . . 1.31 114.065 170.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -111.01 121.38 45.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.795 0.298 . . . . 2.43 110.272 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.733 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -93.28 139.08 31.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.164 0.507 . . . . 1.39 111.683 -178.816 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.55 ' CD2' HD22 ' A' ' 74' ' ' LEU . 48.2 m-85 -115.97 168.32 10.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.61 -0.723 . . . . 1.33 110.546 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' C ' HD13 ' A' ' 71' ' ' LEU . 41.1 mtm180 -87.75 -41.82 13.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.506 -0.316 . . . . 3.89 110.946 -177.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.617 HD22 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -106.61 159.63 16.05 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.134 -0.227 . . . . 1.92 110.698 -176.847 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 25.0 mm -65.39 -48.07 84.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.617 -0.265 . . . . 1.59 110.402 175.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.547 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 8.5 t -65.51 -28.43 69.18 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-O 120.976 0.417 . . . . 1.77 110.513 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.617 HD12 HD22 ' A' ' 71' ' ' LEU . 1.5 mt -57.07 -57.42 12.63 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.999 0.904 . . . . 1.15 111.024 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.9 tp -69.71 -25.99 64.13 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 113.915 -1.493 . . . . 1.08 109.805 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 73' ' ' SER . 1.6 t-20 -70.62 -35.73 73.1 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.284 -1.326 . . . . 1.34 109.243 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.564 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.1 mm? -79.98 -23.78 41.37 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.607 -0.724 . . . . 0.64 110.22 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -69.26 -41.3 77.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.452 -0.794 . . . . 0.72 109.243 170.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -71.23 -39.88 71.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.307 -0.861 . . . . 2.06 108.818 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 1.002 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 28.6 ttmt -58.54 -40.87 84.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.787 -1.097 . . . . 0.85 110.182 172.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -58.07 -45.38 87.21 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.485 -0.325 . . . . 3.88 111.467 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -65.22 -35.95 82.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.389 -0.369 . . . . 1.03 111.285 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.7 m -101.05 17.32 22.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.523 -0.308 . . . . 1.45 111.526 -173.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.67 -62.87 3.49 Favored Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 111.195 -0.762 . . . . 0.67 111.195 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 1.002 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 8.3 pt-20 . . . . . 0 N--CA 1.446 -0.636 0 N-CA-C 109.089 -0.708 . . . . 2.0 109.089 174.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.648 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.5 mmm180 . . . . . 0 N--CA 1.441 -0.909 0 CA-C-O 121.547 0.689 . . . . 2.3 111.682 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.674 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.0 m-85 -93.72 154.03 18.02 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.745 -1.116 . . . . 0.83 110.651 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.615 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.7 mtt180 -111.76 153.86 25.89 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 108.831 -0.803 . . . . 3.33 108.831 167.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.474 ' C ' ' H ' ' A' ' 92' ' ' ASP . 2.4 t -67.47 111.38 4.07 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 106.199 -1.778 . . . . 0.91 106.199 164.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.3 1.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.138 0.421 . . . . 1.6 112.138 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.474 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.9 p30 -114.74 -33.17 5.58 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.695 -0.229 . . . . 2.13 111.595 -177.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.879 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.5 p -130.73 -16.48 3.33 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 119.178 -1.009 . . . . 1.15 111.549 -174.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 88.42 27.1 26.02 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 116.511 -0.313 . . . . 1.01 112.856 169.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.879 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 68.3 mttt -81.66 138.64 35.26 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.209 -0.293 . . . . 1.97 110.209 175.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.674 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.6 mm? -94.31 122.71 37.14 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.386 0.612 . . . . 0.87 111.445 -173.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 82.1 m-85 -121.44 135.92 55.01 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.41 -0.814 . . . . 0.62 110.013 176.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.648 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 46.6 p -80.83 -6.42 58.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.515 -0.766 . . . . 0.61 110.608 -176.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 102' ' ' ASN . 3.6 m -138.54 129.77 27.16 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 114.871 -1.059 . . . . 0.79 109.336 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.616 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 13.7 p -66.04 -25.46 67.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 0.74 111.385 -177.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.29 -43.61 54.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.71 112.455 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.579 ' H ' HG22 ' A' ' 99' ' ' THR . 21.5 m120 -61.71 -38.91 89.62 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 108.745 -0.835 . . . . 1.4 108.745 172.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.8 tp -61.13 -49.64 76.46 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-N 114.162 -1.381 . . . . 0.54 108.919 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.551 ' O ' HD13 ' A' ' 108' ' ' LEU . 27.1 ttpp -51.63 -46.78 63.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.067 -1.424 . . . . 2.27 111.804 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 109' ' ' VAL . 40.9 mmt180 -54.2 -45.51 72.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.754 0.787 . . . . 4.34 109.924 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.685 ' O ' HG22 ' A' ' 109' ' ' VAL . 59.5 t-80 -74.16 -16.1 61.0 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.558 -1.201 . . . . 0.96 111.239 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 2.2 mm100 -83.25 -29.74 28.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.52 -1.289 . . . . 1.53 107.52 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -77.59 -18.15 57.13 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 113.406 -1.724 . . . . 1.18 110.787 -176.602 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.4 m -78.48 -22.62 13.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 C-N-CA 119.557 -0.857 . . . . 1.27 109.497 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.421 ' HE1' ' CE1' ' A' ' 106' ' ' HIS . 76.3 m80 . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 115.813 -0.63 . . . . 1.32 110.685 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo . . . . . 0 N--CA 1.452 -0.918 0 CA-C-O 121.621 0.592 . . . . 2.07 111.353 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.47 ' CE2' HG12 ' A' ' 72' ' ' ILE . 41.0 m-85 -121.35 85.61 2.43 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.906 -1.146 . . . . 2.4 107.906 174.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 1.032 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -105.24 144.95 15.84 Favored Glycine 0 N--CA 1.427 -1.957 0 C-N-CA 120.097 -1.049 . . . . 1.34 113.031 -170.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.551 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -71.72 99.15 2.07 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 108.202 -1.036 . . . . 1.27 108.202 173.501 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -66.17 -3.75 6.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.205 0.526 . . . . 3.94 111.648 -176.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.03 -39.73 15.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.689 -0.687 . . . . 1.76 111.629 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -119.72 -6.28 10.15 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.879 0.847 . . . . 1.32 109.268 -172.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.39 25.94 67.01 Favored Glycine 0 N--CA 1.429 -1.804 0 CA-C-N 114.283 -1.326 . . . . 1.31 113.579 171.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HZ3' ' HB3' ' A' ' 67' ' ' LYS . 8.6 mtpm? -104.42 109.67 21.63 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.694 -0.484 . . . . 2.43 109.694 175.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 1.032 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -89.95 142.61 27.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.943 0.401 . . . . 1.39 110.327 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 41.4 m-85 -120.7 152.53 38.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.412 0.625 . . . . 1.33 111.251 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 7.5 ttp180 -72.99 -39.93 65.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.628 -1.169 . . . . 3.89 111.022 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.721 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 5.3 mp -106.14 152.55 23.29 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.965 -0.561 . . . . 1.92 111.386 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.0 mm -66.67 -41.07 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.805 -0.634 . . . . 1.59 109.445 172.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.562 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 13.5 p -68.57 -29.06 67.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.401 0.619 . . . . 1.77 110.833 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.721 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.7 mt -62.34 -54.57 38.59 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 121.596 0.712 . . . . 1.15 111.323 174.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.0 tp -69.52 -25.21 63.92 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.819 -1.082 . . . . 1.08 109.344 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -63.11 -43.86 97.25 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.275 -1.329 . . . . 1.34 109.585 177.408 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 3.8 mm? -77.95 -22.07 50.08 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.491 -0.777 . . . . 0.64 110.568 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 81' ' ' ARG . 61.5 t60 -70.77 -37.82 73.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.006 -0.739 . . . . 0.72 109.006 170.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.469 ' HE3' HD23 ' A' ' 96' ' ' LEU . 14.6 tppt? -69.14 -37.03 78.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.847 -0.797 . . . . 2.06 108.847 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 1.063 ' HG2' ' HA ' ' A' ' 85' ' ' GLU . 73.6 mttt -62.58 -31.42 72.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.783 -1.099 . . . . 0.85 110.776 173.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 30.0 tpt180 -62.82 -41.04 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.894 -0.593 . . . . 3.88 110.86 177.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -82.59 -51.72 7.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.55 -0.295 . . . . 1.03 111.735 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -113.07 30.8 6.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.487 0.551 . . . . 1.45 112.487 -167.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.71 -58.33 4.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.852 -0.689 . . . . 0.67 112.659 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 1.063 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 7.9 pt-20 . . . . . 0 N--CA 1.445 -0.701 0 CA-C-O 121.226 0.536 . . . . 2.0 110.273 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.558 ' HG2' ' HG3' ' A' ' 85' ' ' GLU . 26.3 mmm180 . . . . . 0 N--CA 1.443 -0.789 0 CA-C-O 121.52 0.676 . . . . 2.3 111.719 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.719 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 21.4 m-85 -88.3 146.06 25.51 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.931 -1.031 . . . . 0.83 110.326 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.667 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 37.4 mtt85 -105.47 153.62 21.46 Favored 'General case' 0 CA--C 1.492 -1.288 0 N-CA-C 108.598 -0.89 . . . . 3.33 108.598 169.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.62 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 7.6 t -71.63 108.27 4.9 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 106.064 -1.828 . . . . 0.91 106.064 164.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.98 14.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.37 0.507 . . . . 1.6 112.37 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 90' ' ' CYS . 2.1 p30 -120.24 -38.03 2.98 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.493 -0.321 . . . . 2.13 111.372 173.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.737 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 11.4 p -130.27 -8.34 4.26 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 119.629 -0.828 . . . . 1.15 111.677 -173.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.65 39.09 35.54 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.814 -0.63 . . . . 1.01 114.106 170.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.737 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 28.7 mtpt -81.99 144.83 30.61 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.472 -0.936 . . . . 1.97 108.472 169.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.719 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.9 mm? -104.52 106.01 16.34 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.445 -0.502 . . . . 0.87 110.99 -174.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 80.2 m-85 -103.26 135.73 44.35 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.557 -0.747 . . . . 0.62 109.742 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.9 p -80.22 -11.66 59.71 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.228 -0.896 . . . . 0.61 110.022 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 102' ' ' ASN . 92.7 m -121.88 128.03 51.14 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.863 -1.062 . . . . 0.79 109.44 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.594 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 13.3 p -67.22 -33.78 76.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.223 -0.444 . . . . 0.74 110.313 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -66.71 -42.95 92.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.906 -0.664 . . . . 0.71 112.303 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.51 ' H ' HG22 ' A' ' 99' ' ' THR . 5.3 m-20 -63.69 -36.09 82.72 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 108.656 -0.868 . . . . 1.4 108.656 175.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.693 HD22 ' HB3' ' A' ' 88' ' ' TYR . 11.2 tp -65.18 -51.11 63.07 Favored 'General case' 0 N--CA 1.422 -1.871 0 CA-C-N 114.01 -1.45 . . . . 0.54 109.225 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.594 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 26.6 mtpp -54.64 -42.54 71.37 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.262 -1.336 . . . . 2.27 111.688 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.547 ' O ' HG13 ' A' ' 109' ' ' VAL . 41.5 mmt180 -55.33 -45.42 76.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.889 0.376 . . . . 4.34 109.996 175.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.699 ' O ' HG22 ' A' ' 109' ' ' VAL . 55.8 t-80 -72.34 -17.56 61.83 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.898 -0.592 . . . . 0.96 111.808 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.62 ' NE2' ' HA ' ' A' ' 90' ' ' CYS . 8.0 mm-40 -79.4 -29.21 41.92 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.119 -1.437 . . . . 1.53 107.119 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -78.24 -33.06 49.99 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-N 113.274 -1.785 . . . . 1.18 110.001 -177.125 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.4 m -64.44 -21.5 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 C-N-CA 120.291 -0.564 . . . . 1.27 109.691 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.441 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 34.6 m-70 . . . . . 0 CA--C 1.531 0.249 0 CA-C-N 115.846 -0.616 . . . . 1.32 112.107 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 N--CA 1.457 -0.635 0 CA-C-O 121.942 0.726 . . . . 2.07 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.405 ' CE2' HG12 ' A' ' 72' ' ' ILE . 61.7 m-85 -102.43 101.06 11.24 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 113.728 -1.578 . . . . 2.4 108.803 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.67 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -102.92 145.59 16.36 Favored Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 119.755 -1.212 . . . . 1.34 113.212 -173.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.521 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -61.02 154.94 21.36 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.068 -1.066 . . . . 1.27 112.157 -175.403 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -74.45 -37.3 63.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.559 -1.201 . . . . 3.94 111.023 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.477 ' OE1' ' SG ' ' A' ' 62' ' ' CYS . 1.5 pm0 -100.75 -40.74 7.19 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.588 0.588 . . . . 1.76 112.588 -167.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.2 p -109.3 -14.65 14.42 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.401 1.096 . . . . 1.32 108.241 -171.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 60.55 34.19 84.83 Favored Glycine 0 N--CA 1.432 -1.591 0 CA-C-N 113.033 -1.894 . . . . 1.31 114.588 171.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.466 ' O ' ' HA2' ' A' ' 61' ' ' GLY . 96.3 mttt -86.5 128.74 34.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.235 -0.654 . . . . 2.43 109.235 173.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.67 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.06 131.1 34.79 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.926 0.87 . . . . 1.39 112.26 -176.47 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.703 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 39.5 m-85 -122.86 129.72 51.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.428 -1.26 . . . . 1.33 109.867 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -74.55 -18.07 60.64 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.289 -0.564 . . . . 3.89 112.233 -174.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.585 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -105.2 150.45 25.08 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.356 -0.538 . . . . 1.92 110.404 170.792 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.0 mm -69.49 -42.44 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 1.59 109.649 175.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.2 m -61.11 -38.98 88.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 1.77 110.525 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.703 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 3.8 mt -51.12 -57.05 9.72 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.443 -0.798 . . . . 1.15 111.824 173.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 16.3 tp -70.4 -26.17 63.57 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 114.443 -1.253 . . . . 1.08 109.848 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.544 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -72.57 -39.34 67.5 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.224 -1.353 . . . . 1.34 109.322 -178.621 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.4 mm? -80.6 -19.58 45.2 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.413 -0.812 . . . . 0.64 110.062 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.479 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 55.3 t60 -73.72 -41.22 62.85 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.348 -0.842 . . . . 0.72 109.96 172.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' ' 76' ' ' ASN . 16.8 ptpt -78.1 -29.02 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.126 -0.694 . . . . 2.06 109.126 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.937 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 29.8 ttmt -62.41 -38.08 88.28 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.162 -0.926 . . . . 0.85 109.65 169.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -63.6 -34.71 78.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.547 -0.751 . . . . 3.88 111.856 -177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 79.0 m-70 -65.91 -25.24 67.06 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.8 0.296 . . . . 1.03 111.8 -178.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m -119.06 16.68 13.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.808 0.337 . . . . 1.45 111.066 -176.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.44 -50.15 4.16 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.664 -0.779 . . . . 0.67 111.499 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.937 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.434 -1.243 0 N-CA-C 108.774 -0.824 . . . . 2.0 108.774 173.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.572 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 9.4 mmm180 . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 121.443 0.639 . . . . 2.3 111.613 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.64 ' HB3' HD22 ' A' ' 103' ' ' LEU . 14.3 m-85 -91.44 159.72 15.82 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.01 -0.996 . . . . 0.83 110.174 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 27.7 ptt180 -126.75 154.02 44.76 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.991 -0.744 . . . . 3.33 108.991 168.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.478 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 5.5 t -64.03 131.89 48.95 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.12 -1.067 . . . . 0.91 108.12 173.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -75.83 5.73 5.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.934 0.397 . . . . 1.6 111.048 -174.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.411 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.7 p30 -120.56 -42.56 2.53 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.36 -0.382 . . . . 2.13 111.85 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.0 p -126.42 3.67 6.95 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.452 0.644 . . . . 1.15 110.178 -168.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.02 36.69 91.13 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 114.867 -1.061 . . . . 1.01 114.526 171.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 83.9 mttt -81.59 131.86 35.29 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.839 -0.43 . . . . 1.97 109.839 171.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.587 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -91.14 121.9 33.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.208 0.528 . . . . 0.87 110.732 -175.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.567 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 54.1 m-85 -120.0 135.17 55.02 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.399 -0.819 . . . . 0.62 109.915 176.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.569 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 79.3 p -80.12 -11.03 59.79 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.093 -0.958 . . . . 0.61 110.554 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.596 HG22 ' H ' ' A' ' 102' ' ' ASN . 8.1 m -128.89 129.01 44.97 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.914 -1.039 . . . . 0.79 109.106 177.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 5.9 p -68.05 -26.0 65.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.718 -0.673 . . . . 0.74 110.996 -175.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -72.28 -44.77 42.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.121 -0.561 . . . . 0.71 112.531 175.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.596 ' H ' HG22 ' A' ' 99' ' ' THR . 17.3 m120 -59.36 -38.3 80.08 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 108.331 -0.988 . . . . 1.4 108.331 173.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 88' ' ' TYR . 14.0 tp -63.02 -51.09 68.13 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-N 114.007 -1.451 . . . . 0.54 109.589 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.459 ' O ' HD13 ' A' ' 108' ' ' LEU . 24.2 ttmm -54.53 -46.14 73.5 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 114.23 -1.35 . . . . 2.27 111.305 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.604 ' O ' HG13 ' A' ' 109' ' ' VAL . 46.1 mtt180 -56.42 -41.86 77.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.137 0.494 . . . . 4.34 109.815 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.695 ' O ' HG22 ' A' ' 109' ' ' VAL . 72.0 t60 -72.35 -18.1 61.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.629 -0.714 . . . . 0.96 111.344 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 13.1 mm-40 -82.73 -26.74 31.68 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.657 -1.238 . . . . 1.53 107.657 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -80.55 -29.0 37.14 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 113.584 -1.643 . . . . 1.18 110.041 -178.303 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -65.29 -21.93 30.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 C-N-CA 119.861 -0.736 . . . . 1.27 109.393 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.8 m80 . . . . . 0 CA--C 1.534 0.356 0 CA-C-N 115.882 -0.599 . . . . 1.32 112.201 179.573 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo . . . . . 0 N--CA 1.454 -0.848 0 CA-C-O 121.618 0.591 . . . . 2.07 112.132 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -122.09 104.43 9.49 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 114.336 -1.302 . . . . 2.4 108.422 174.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.674 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -118.59 155.63 16.0 Favored Glycine 0 N--CA 1.433 -1.54 0 C-N-CA 119.348 -1.406 . . . . 1.34 114.472 -168.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.561 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 53.3 t -76.78 140.57 40.79 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.577 -1.312 . . . . 1.27 109.999 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -90.49 -24.69 20.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.301 0.572 . . . . 3.94 109.819 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -37.8 21.04 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.615 -0.721 . . . . 1.76 111.81 -171.337 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.437 ' SG ' ' NE2' ' A' ' 78' ' ' HIS . 26.6 p -116.42 -22.85 8.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.746 0.784 . . . . 1.32 109.039 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.561 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 88.04 22.81 40.39 Favored Glycine 0 N--CA 1.433 -1.531 0 CA-C-N 114.493 -1.23 . . . . 1.31 113.806 169.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 67' ' ' LYS . 25.9 mtpp -91.01 123.35 34.41 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.83 -0.348 . . . . 2.43 110.462 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.674 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -92.0 135.89 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.014 0.435 . . . . 1.39 111.001 178.337 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.619 ' CD2' HD22 ' A' ' 74' ' ' LEU . 50.6 m-85 -117.01 165.0 13.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.811 -0.632 . . . . 1.33 111.012 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -85.82 -40.26 16.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.978 -0.556 . . . . 3.89 111.635 -178.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.667 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -105.01 155.39 19.0 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.849 -0.34 . . . . 1.92 110.756 -178.555 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.625 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 17.9 mm -64.56 -43.43 96.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.702 -0.481 . . . . 1.59 109.702 174.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 p -65.02 -34.61 78.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.446 . . . . 1.77 110.866 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.667 HD12 HD22 ' A' ' 71' ' ' LEU . 2.5 mt -54.74 -56.65 16.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.67 0.747 . . . . 1.15 111.755 173.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 10.8 tp -71.61 -25.16 62.05 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.67 -1.15 . . . . 1.08 109.553 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.625 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -68.99 -40.65 78.63 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.521 -1.218 . . . . 1.34 108.924 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.598 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 3.2 mm? -80.5 -19.84 44.96 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.159 -0.928 . . . . 0.64 110.254 179.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.446 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 59.2 t60 -68.11 -44.7 75.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.694 -0.684 . . . . 0.72 109.773 169.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -73.69 -34.29 64.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.313 -0.858 . . . . 2.06 108.876 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 1.073 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 29.0 ttmt -66.85 -38.93 87.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.913 -1.04 . . . . 0.85 110.293 172.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -58.72 -44.31 90.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 3.88 111.66 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.446 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 73.9 m-70 -56.06 -49.83 72.67 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.932 0.345 . . . . 1.03 111.932 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -100.7 28.38 5.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.864 0.364 . . . . 1.45 111.033 -175.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.92 -58.74 4.54 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.07 -0.812 . . . . 0.67 111.07 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 1.073 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 11.1 pt-20 . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 121.58 0.705 . . . . 2.0 110.544 173.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 9.7 mmm180 . . . . . 0 N--CA 1.442 -0.849 0 CA-C-O 121.534 0.683 . . . . 2.3 111.16 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.69 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 22.3 m-85 -90.7 151.25 21.32 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.921 -1.036 . . . . 0.83 111.363 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.684 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.4 mtt180 -108.91 155.29 21.01 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.638 -0.875 . . . . 3.33 108.638 169.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.535 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 4.6 t -74.17 125.43 28.36 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 107.577 -1.268 . . . . 0.91 107.577 168.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -63.91 1.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.154 0.427 . . . . 1.6 112.154 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.423 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.1 p30 -119.73 -39.2 2.87 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 112.123 0.416 . . . . 2.13 112.123 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.528 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 12.3 p -130.22 1.24 4.66 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 119.591 -0.844 . . . . 1.15 111.125 -169.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.7 36.32 89.32 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.474 -0.785 . . . . 1.01 113.916 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.528 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 90.0 mttt -80.87 134.21 35.72 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.569 -0.53 . . . . 1.97 109.569 170.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.69 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.7 mm? -93.86 119.51 32.89 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.111 0.481 . . . . 0.87 111.094 -173.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 62.3 m-85 -119.62 138.48 53.21 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.493 -0.776 . . . . 0.62 110.432 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.515 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 81.8 p -82.3 -10.41 59.11 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.892 -1.049 . . . . 0.61 110.304 -177.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.594 HG22 ' H ' ' A' ' 102' ' ' ASN . 55.3 m -127.73 128.75 45.92 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.61 -1.177 . . . . 0.79 109.317 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 22.5 p -69.27 -27.38 65.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.314 -0.403 . . . . 0.74 110.922 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.418 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.05 -34.92 32.07 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.436 -0.888 . . . . 0.71 112.345 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.594 ' H ' HG22 ' A' ' 99' ' ' THR . 91.2 m-20 -63.11 -40.5 97.81 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 107.786 -1.19 . . . . 1.4 107.786 171.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 88' ' ' TYR . 14.9 tp -59.98 -57.79 11.32 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 113.57 -1.65 . . . . 0.54 109.266 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.785 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 18.1 ttmm -45.21 -48.08 12.61 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.409 -1.269 . . . . 2.27 112.266 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.582 ' O ' HG13 ' A' ' 109' ' ' VAL . 23.6 mmm180 -53.94 -45.4 71.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 4.34 110.442 175.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.643 ' O ' HG22 ' A' ' 109' ' ' VAL . 80.5 t60 -72.78 -17.46 61.58 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.901 -0.59 . . . . 0.96 111.58 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.785 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 4.7 mt-30 -84.52 -27.06 27.64 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 107.055 -1.461 . . . . 1.53 107.055 -176.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -74.45 -39.37 62.59 Favored 'General case' 0 CA--C 1.487 -1.467 0 CA-C-N 113.407 -1.724 . . . . 1.18 109.434 -178.372 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.0 m -62.03 -16.45 15.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-O 121.007 0.432 . . . . 1.27 110.504 -174.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.496 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 51.3 m-70 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 112.69 0.626 . . . . 1.32 112.69 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.847 -0.427 . . . . 4.18 109.847 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.35 117.88 4.67 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.939 2.426 . . . . 2.07 111.679 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.409 ' CE2' HG12 ' A' ' 72' ' ' ILE . 26.5 m-85 -106.88 101.56 10.98 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.135 -1.393 . . . . 2.4 109.214 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.648 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -112.41 153.7 17.28 Favored Glycine 0 N--CA 1.432 -1.627 0 C-N-CA 120.009 -1.091 . . . . 1.34 113.53 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.516 ' SG ' ' HE2' ' A' ' 79' ' ' LYS . 12.3 t -70.1 114.1 7.93 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.19 -1.005 . . . . 1.27 110.648 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.41 -18.87 31.45 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.942 0.877 . . . . 3.94 110.89 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.0 OUTLIER -87.38 -45.04 10.91 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.787 -1.097 . . . . 1.76 112.658 -171.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.2 p -124.55 -19.99 5.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.364 0.602 . . . . 1.32 110.665 -171.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.98 10.12 Favored Glycine 0 N--CA 1.435 -1.432 0 CA-C-N 115.23 -0.895 . . . . 1.31 114.415 168.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.39 124.57 48.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.137 0.469 . . . . 2.43 110.202 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.648 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.38 140.25 29.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.96 0.409 . . . . 1.39 111.472 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.56 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 37.8 m-85 -119.16 161.11 20.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.493 -0.776 . . . . 1.33 111.306 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' C ' HD13 ' A' ' 71' ' ' LEU . 33.0 mmt180 -74.01 -43.03 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.95 -0.568 . . . . 3.89 111.537 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.649 HD22 HD12 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -112.41 163.22 14.69 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.013 -0.275 . . . . 1.92 111.181 -177.15 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.522 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.4 mm -68.05 -43.67 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 1.59 109.681 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -63.45 -35.56 80.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.889 -0.596 . . . . 1.77 110.514 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.649 HD12 HD22 ' A' ' 71' ' ' LEU . 2.2 mt -55.66 -55.69 29.12 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.584 0.707 . . . . 1.15 111.464 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 13.5 tp -69.55 -25.19 63.89 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.61 -1.177 . . . . 1.08 109.845 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -71.09 -36.99 72.43 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.55 -1.204 . . . . 1.34 109.223 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -79.39 -25.51 42.11 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.432 -0.804 . . . . 0.64 110.32 177.226 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.422 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 36.3 t60 -66.78 -42.13 86.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.63 -0.713 . . . . 0.72 109.283 170.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.516 ' HE2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -71.54 -35.86 70.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.801 -0.814 . . . . 2.06 108.801 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.86 ' HE2' ' H ' ' A' ' 86' ' ' ALA . 33.9 ttmt -62.36 -40.9 97.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.973 -1.012 . . . . 0.85 110.436 172.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -58.84 -39.02 80.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 3.88 111.991 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.422 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 59.9 m-70 -67.61 -30.51 70.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.422 -0.354 . . . . 1.03 111.919 -176.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 p -107.24 11.79 28.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.769 0.319 . . . . 1.45 111.213 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.21 -60.73 4.81 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.084 -0.806 . . . . 0.67 111.084 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.654 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -136.72 164.73 27.57 Favored 'General case' 0 N--CA 1.418 -2.062 0 N-CA-C 107.783 -1.191 . . . . 2.0 107.783 178.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.86 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -126.47 105.5 8.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.006 0.431 . . . . 0.78 110.001 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -95.99 -81.67 0.4 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.656 0.741 . . . . 2.3 111.45 -174.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 25.9 m-85 -87.17 156.51 19.66 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.792 -1.094 . . . . 0.83 109.605 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.567 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 16.1 ptt180 -126.07 153.6 44.24 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 108.611 -0.885 . . . . 3.33 108.611 166.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.58 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 2.1 t -64.77 120.58 12.74 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.123 -1.436 . . . . 0.91 107.123 170.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -70.23 7.45 1.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.099 0.476 . . . . 1.6 111.578 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.465 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.2 p30 -120.72 -42.93 2.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.814 -0.63 . . . . 2.13 111.697 -177.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.856 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 14.0 p -120.37 -13.09 8.89 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 119.906 -0.718 . . . . 1.15 110.036 -172.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.97 33.97 31.7 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.769 -1.105 . . . . 1.01 113.203 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.856 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 38.2 mttp -84.71 131.98 34.51 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 110.161 -0.311 . . . . 1.97 110.161 174.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.609 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -91.46 126.62 36.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.291 0.567 . . . . 0.87 110.683 -175.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.474 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 72.0 m-85 -124.42 141.83 51.77 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.294 -0.867 . . . . 0.62 109.906 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.4 p -86.95 -13.14 45.51 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.315 -0.857 . . . . 0.61 109.807 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.564 HG22 ' H ' ' A' ' 102' ' ' ASN . 94.5 m -118.86 127.64 53.69 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 114.609 -1.178 . . . . 0.79 109.009 177.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 24.7 p -72.37 -23.55 61.14 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.267 -0.424 . . . . 0.74 109.982 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.514 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -74.42 -44.0 29.0 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.952 -0.567 . . . . 0.71 112.51 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.564 ' H ' HG22 ' A' ' 99' ' ' THR . 87.4 m-20 -59.3 -38.17 79.55 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.14 -1.059 . . . . 1.4 108.14 173.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.4 tp -64.92 -52.48 56.19 Favored 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 113.705 -1.589 . . . . 0.54 109.209 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.68 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 23.3 ttmm -51.19 -50.13 59.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.433 -1.258 . . . . 2.27 112.404 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.533 ' O ' HG13 ' A' ' 109' ' ' VAL . 43.4 mtm180 -57.56 -37.37 73.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.478 0.656 . . . . 4.34 109.862 178.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.663 ' O ' HG22 ' A' ' 109' ' ' VAL . 65.3 t60 -76.53 -16.45 59.62 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.945 -1.025 . . . . 0.96 111.319 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.68 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.5 mm100 -85.88 -27.56 24.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.932 -1.507 . . . . 1.53 106.932 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.565 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -81.61 -13.33 58.1 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 113.43 -1.714 . . . . 1.18 110.897 -175.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 106' ' ' HIS . 10.2 m -81.61 -18.52 11.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 C-N-CA 119.758 -0.777 . . . . 1.27 109.223 174.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.458 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 67.6 m-70 -92.24 -7.64 47.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.678 -0.692 . . . . 1.32 110.554 175.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.9 m -153.85 46.66 0.62 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.728 0.775 . . . . 1.93 109.567 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.565 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 N--CA 1.441 -1.011 0 CA-C-N 114.945 -1.025 . . . . 2.49 111.264 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 14.1 mmtt . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.908 0.385 . . . . 4.18 111.047 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 5.2 Cg_endo -89.53 118.06 0.79 Allowed 'Trans proline' 0 N--CA 1.442 -1.514 0 C-N-CA 123.617 2.878 . . . . 2.07 111.031 173.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -112.25 94.8 5.11 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.754 -1.112 . . . . 2.4 108.278 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.791 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -103.82 145.31 16.1 Favored Glycine 0 N--CA 1.429 -1.823 0 C-N-CA 119.791 -1.195 . . . . 1.34 113.641 -172.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 6.0 t -61.85 118.37 7.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.47 -1.365 . . . . 1.27 109.84 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -68.71 -14.16 62.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.4 0.619 . . . . 3.94 111.078 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.17 -38.2 10.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.216 -0.902 . . . . 1.76 113.077 -172.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 30.3 p -119.04 -23.17 6.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.672 0.749 . . . . 1.32 109.812 -175.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.23 17.13 47.89 Favored Glycine 0 N--CA 1.432 -1.583 0 CA-C-N 114.724 -1.126 . . . . 1.31 114.15 173.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -88.69 122.5 32.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.069 0.434 . . . . 2.43 110.729 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.791 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.27 138.93 31.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 1.39 111.83 -178.693 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.534 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 43.7 m-85 -123.51 160.81 26.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.763 -0.653 . . . . 1.33 110.889 174.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' C ' HD13 ' A' ' 71' ' ' LEU . 7.3 mpt_? -79.74 -41.41 26.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.437 -0.347 . . . . 3.89 111.69 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -107.39 156.51 18.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.742 0.306 . . . . 1.92 110.643 -177.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.59 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 22.0 mm -67.21 -42.22 87.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.551 -0.537 . . . . 1.59 109.551 174.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 p -61.28 -37.58 83.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.22 0.533 . . . . 1.77 110.98 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 71' ' ' LEU . 2.2 mt -54.1 -57.2 12.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.81 0.814 . . . . 1.15 111.673 173.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.5 tp -71.96 -22.29 61.47 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 114.491 -1.232 . . . . 1.08 109.653 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.2 t-20 -69.45 -38.37 77.75 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.527 -1.215 . . . . 1.34 109.29 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -79.44 -23.22 43.27 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.494 -0.775 . . . . 0.64 110.078 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -70.41 -40.96 73.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.248 -0.887 . . . . 0.72 109.333 171.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.74 -41.55 71.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.251 -0.886 . . . . 2.06 108.848 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.902 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.9 ttmt -58.86 -36.44 74.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.989 -1.005 . . . . 0.85 110.431 173.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 17.1 tpt180 -64.17 -36.82 85.3 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.643 -0.423 . . . . 3.88 111.681 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -74.39 -45.11 48.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.397 . . . . 1.03 111.311 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 m -84.44 6.48 23.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.459 -0.337 . . . . 1.45 111.495 -176.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.72 -55.51 4.85 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.649 -0.981 . . . . 0.67 110.649 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.902 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.4 pm0 -143.3 -175.38 4.52 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 109.194 -0.669 . . . . 2.0 109.194 171.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.646 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -139.09 101.15 4.2 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.911 -0.774 . . . . 0.78 108.911 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.761 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 17.5 mmm180 -100.77 -74.88 0.6 Allowed 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.356 -0.838 . . . . 2.3 111.369 -168.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.697 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 23.9 m-85 -95.58 155.44 16.74 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.621 -1.172 . . . . 0.83 109.635 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.688 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 35.2 ptt180 -125.58 152.41 45.13 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.811 -0.811 . . . . 3.33 108.811 167.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.484 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 9.3 t -63.48 130.07 42.87 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.507 -0.923 . . . . 0.91 108.507 175.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -62.79 -9.3 8.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.482 0.488 . . . . 1.6 111.84 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.484 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.5 p30 -120.37 -35.24 3.46 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 112.671 0.619 . . . . 2.13 112.671 -172.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.571 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 9.3 p -128.03 1.2 5.9 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 119.33 -0.948 . . . . 1.15 110.717 -171.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.17 39.21 96.92 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 114.952 -1.022 . . . . 1.01 114.678 170.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.688 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 25.7 mtpp -83.89 132.56 34.78 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 117.16 0.48 . . . . 1.97 109.727 171.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.697 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.3 mm? -90.22 111.3 22.43 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.272 0.558 . . . . 0.87 110.901 -177.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.54 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 82.6 m-85 -109.16 140.42 42.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.644 -0.707 . . . . 0.62 109.263 175.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.462 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 52.3 p -87.94 -6.4 58.05 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.552 0.691 . . . . 0.61 110.17 -178.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.572 HG22 ' H ' ' A' ' 102' ' ' ASN . 38.7 m -127.7 128.75 45.96 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.875 -1.057 . . . . 0.79 109.219 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.652 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 26.6 p -69.48 -29.4 67.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.01 -0.541 . . . . 0.74 111.269 -175.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.46 ' HA2' ' HB2' ' A' ' 104' ' ' LYS . . . -77.7 -33.87 41.04 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.296 -0.954 . . . . 0.71 112.357 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.572 ' H ' HG22 ' A' ' 99' ' ' THR . 4.1 m-20 -65.62 -39.3 91.35 Favored 'General case' 0 CA--C 1.492 -1.257 0 N-CA-C 107.767 -1.198 . . . . 1.4 107.767 172.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.649 HD22 ' HB3' ' A' ' 88' ' ' TYR . 13.5 tp -61.06 -58.45 8.37 Favored 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 113.719 -1.582 . . . . 0.54 109.209 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.709 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 3.8 mptp? -40.1 -54.36 2.29 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 124.748 1.28 . . . . 2.27 111.798 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.635 ' O ' HG13 ' A' ' 109' ' ' VAL . 23.2 mmm180 -49.21 -48.8 45.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.218 0.532 . . . . 4.34 110.41 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 109' ' ' VAL . 81.9 t60 -71.25 -17.46 62.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.495 -0.775 . . . . 0.96 112.056 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.709 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 5.6 mt-30 -84.67 -30.4 24.88 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.789 -1.559 . . . . 1.53 106.789 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -73.42 -37.07 66.02 Favored 'General case' 0 C--O 1.201 -1.479 0 CA-C-N 113.085 -1.87 . . . . 1.18 109.406 -176.61 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 105' ' ' ARG . 4.8 m -62.59 -17.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-O 121.151 0.5 . . . . 1.27 110.393 -175.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.48 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 48.0 m-70 -79.63 9.55 4.91 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.858 0.688 . . . . 1.32 112.858 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -168.73 -38.49 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.191 0.996 . . . . 1.93 110.0 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.306 -1.125 0 CA-C-N 113.55 -1.659 . . . . 2.49 111.999 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.2 pttp . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.927 0.394 . . . . 4.18 110.744 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.46 124.87 12.57 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.384 2.723 . . . . 2.07 112.738 -175.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -101.37 97.97 8.39 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 113.651 -1.613 . . . . 2.4 108.854 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.669 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -110.14 148.25 17.41 Favored Glycine 0 N--CA 1.431 -1.652 0 C-N-CA 119.835 -1.174 . . . . 1.34 113.735 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.507 ' SG ' ' HE2' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -70.91 125.35 26.62 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 113.916 -1.142 . . . . 1.27 110.212 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.846 0.831 . . . . 3.94 110.712 -177.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' HG3' ' SG ' ' A' ' 62' ' ' CYS . 0.3 OUTLIER -85.28 -40.4 16.63 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.769 -1.105 . . . . 1.76 112.503 -170.771 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.71 -0.26 8.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.811 0.815 . . . . 1.32 109.734 -169.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.14 37.4 92.81 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.201 -1.363 . . . . 1.31 114.745 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -109.6 127.85 54.81 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.603 -0.517 . . . . 2.43 109.603 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.669 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -95.92 139.6 31.88 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.394 0.616 . . . . 1.39 111.692 -176.496 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 74' ' ' LEU . 49.7 m-85 -121.04 148.11 44.59 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.197 -0.911 . . . . 1.33 110.753 174.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -75.26 -33.95 61.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.069 -0.969 . . . . 3.89 111.195 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 4.7 mp -107.77 146.36 32.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 1.92 111.063 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.543 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.1 mm -62.5 -45.33 99.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.61 -0.723 . . . . 1.59 110.68 175.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 32.5 t -69.77 -24.32 63.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.957 0.408 . . . . 1.77 110.263 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.1 mt -64.86 -52.91 54.06 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 121.311 0.576 . . . . 1.15 110.903 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 11.4 tp -68.86 -29.4 67.7 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.041 -0.982 . . . . 1.08 109.587 177.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -65.51 -39.97 92.46 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.582 -1.19 . . . . 1.34 109.689 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 1.4 mm? -77.67 -26.17 50.1 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.302 -0.863 . . . . 0.64 110.415 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -65.25 -41.6 94.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.525 -0.546 . . . . 0.72 109.525 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.784 ' HG2' HD23 ' A' ' 96' ' ' LEU . 2.2 tppp? -69.77 -32.99 71.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.703 -0.851 . . . . 2.06 108.703 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.548 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 33.6 ttmt -69.91 -33.56 72.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.18 -0.918 . . . . 0.85 110.634 175.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 36.3 mmt180 -60.16 -39.29 85.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.717 0.294 . . . . 3.88 111.636 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.09 -39.38 82.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.403 0.52 . . . . 1.03 112.403 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m -108.39 14.74 24.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.691 0.282 . . . . 1.45 111.527 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.15 -59.79 4.52 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.951 -0.86 . . . . 0.67 110.951 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.602 ' HG3' ' NE ' ' A' ' 87' ' ' ARG . 2.6 pm0 -123.07 -172.26 2.46 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.011 -1.107 . . . . 2.0 108.011 170.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.553 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -145.52 106.98 4.21 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 109.94 -0.392 . . . . 0.78 109.94 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.602 ' NE ' ' HG3' ' A' ' 85' ' ' GLU . 21.0 mmt180 -101.08 -78.23 0.53 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.292 0.568 . . . . 2.3 111.037 -176.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.749 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.9 m-85 -91.29 153.5 19.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.098 -0.955 . . . . 0.83 111.47 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.593 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 47.7 mtt180 -108.12 153.8 22.62 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.899 -0.778 . . . . 3.33 108.899 169.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.498 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 8.2 t -70.18 117.75 12.13 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.115 -1.809 . . . . 0.91 106.115 163.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.04 -5.25 0.61 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.309 0.485 . . . . 1.6 112.309 -174.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.466 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.4 p30 -115.02 -36.08 4.54 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.599 -0.273 . . . . 2.13 111.622 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.818 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 3.8 p -130.95 3.76 4.43 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 119.481 -0.888 . . . . 1.15 111.21 -171.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.06 39.16 97.23 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.37 -0.832 . . . . 1.01 114.293 168.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.818 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 10.5 mtpp -87.27 135.02 33.47 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.79 -0.819 . . . . 1.97 108.79 172.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.784 HD23 ' HG2' ' A' ' 79' ' ' LYS . 3.9 mm? -94.4 105.24 17.21 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.303 0.573 . . . . 0.87 111.504 -172.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.479 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 93.9 m-85 -100.72 142.88 31.57 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.486 -0.779 . . . . 0.62 110.017 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.526 HG22 ' HG2' ' A' ' 85' ' ' GLU . 71.1 p -93.05 7.09 45.59 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 121.947 0.879 . . . . 0.61 110.379 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.543 HG22 ' H ' ' A' ' 102' ' ' ASN . 22.5 m -144.24 129.26 18.54 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.386 -1.279 . . . . 0.79 109.215 175.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.0 p -67.09 -26.89 66.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.812 -0.631 . . . . 0.74 110.695 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.642 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -75.47 -44.01 22.83 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.906 -0.588 . . . . 0.71 112.374 175.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.543 ' H ' HG22 ' A' ' 99' ' ' THR . 12.3 m120 -57.03 -38.96 73.91 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.183 -1.043 . . . . 1.4 108.183 173.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.6 tp -63.63 -56.57 14.79 Favored 'General case' 0 N--CA 1.417 -2.102 0 CA-C-N 113.48 -1.691 . . . . 0.54 109.727 178.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.834 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 40.2 ttpt -47.66 -49.63 26.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.546 -1.206 . . . . 2.27 112.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 49.0 mtt180 -59.69 -35.9 75.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.053 0.454 . . . . 4.34 110.076 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.722 ' O ' HG22 ' A' ' 109' ' ' VAL . 76.3 t60 -76.81 -17.56 58.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.213 -0.903 . . . . 0.96 111.201 176.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.834 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mt-30 -84.06 -27.29 28.4 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.412 -1.699 . . . . 1.53 106.412 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.622 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -83.49 -9.44 58.98 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 112.895 -1.957 . . . . 1.18 111.242 -176.164 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 106' ' ' HIS . 11.0 m -83.48 -17.61 10.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 C-N-CA 119.596 -0.841 . . . . 1.27 108.807 173.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 70.3 m-70 -89.86 -12.14 39.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.055 -0.975 . . . . 1.32 110.284 175.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.2 p -143.49 36.57 1.33 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.694 0.759 . . . . 1.93 109.836 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.622 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.675 -1.07 . . . . 2.49 111.673 -170.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.463 0.173 . . . . 4.18 110.745 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.4 118.9 5.81 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.715 2.276 . . . . 2.07 110.585 170.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.49 ' HB3' HD22 ' A' ' 75' ' ' LEU . 44.9 m-85 -96.15 100.21 11.88 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.541 -1.209 . . . . 2.4 109.521 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.739 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -113.5 144.56 18.18 Favored Glycine 0 N--CA 1.436 -1.347 0 C-N-CA 119.895 -1.145 . . . . 1.34 114.147 -171.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.478 ' SG ' ' HG3' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -61.32 130.92 48.5 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.913 -1.143 . . . . 1.27 110.832 178.716 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -75.63 -16.55 60.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.323 0.582 . . . . 3.94 111.075 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.478 ' HG3' ' SG ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -91.64 -37.54 13.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.754 0.65 . . . . 1.76 112.754 -174.781 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.5 p -126.86 2.08 6.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.592 0.711 . . . . 1.32 109.69 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.26 38.1 92.79 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.308 -1.314 . . . . 1.31 114.592 171.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -110.15 117.01 32.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.14 -0.319 . . . . 2.43 110.14 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.739 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -86.23 141.96 28.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.504 0.668 . . . . 1.39 111.905 -178.035 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.592 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 47.5 m-85 -120.54 142.7 49.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.969 -1.014 . . . . 1.33 110.054 173.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -69.91 -17.92 63.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.617 -0.72 . . . . 3.89 112.138 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 24.7 mt -127.84 163.44 24.4 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.523 -0.471 . . . . 1.92 111.398 -177.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.4 mm -74.17 -51.91 22.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.569 -0.742 . . . . 1.59 110.491 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 17.7 m -63.5 -26.5 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.415 0.626 . . . . 1.77 110.349 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 4.5 mt -58.48 -58.7 7.36 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.148 -0.933 . . . . 1.15 111.781 172.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 6.1 tp -71.85 -22.27 61.55 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 114.8 -1.091 . . . . 1.08 109.486 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -68.08 -39.76 82.82 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.455 -1.248 . . . . 1.34 108.752 177.747 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.3 mm? -80.5 -22.32 41.07 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.205 -0.907 . . . . 0.64 110.374 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 75' ' ' LEU . 59.7 t60 -69.12 -40.9 78.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.257 -0.646 . . . . 0.72 109.257 170.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.684 ' HG2' HD23 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -72.25 -38.29 68.92 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.384 -0.969 . . . . 2.06 108.384 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.837 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 34.4 ttmt -62.98 -29.84 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.767 -1.106 . . . . 0.85 110.19 173.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -66.1 -43.41 87.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.458 -0.337 . . . . 3.88 110.964 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -74.03 -50.32 20.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.701 0.286 . . . . 1.03 111.469 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 m -86.66 11.09 13.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.249 0.463 . . . . 1.45 112.249 -172.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.73 -55.16 5.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.648 -0.787 . . . . 0.67 111.196 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.837 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.7 pm0 -135.4 -179.87 5.9 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 108.828 -0.804 . . . . 2.0 108.828 171.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.574 ' HB3' ' HE3' ' A' ' 80' ' ' LYS . . . -139.46 107.18 5.62 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.12 -0.696 . . . . 0.78 109.12 176.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.747 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 16.0 mmm180 -101.03 -81.57 0.47 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.399 0.619 . . . . 2.3 110.895 -172.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.676 ' HB3' HD22 ' A' ' 103' ' ' LEU . 25.4 m-85 -94.69 152.89 18.11 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.421 -0.808 . . . . 0.83 110.318 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 11.2 ptt180 -124.26 153.9 40.99 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.466 -0.938 . . . . 3.33 108.466 167.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.503 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 25.3 t -65.56 118.11 9.01 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.443 -1.253 . . . . 0.91 108.605 172.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.57 -0.95 0.31 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.419 0.449 . . . . 1.6 111.793 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.503 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -113.8 -42.2 3.46 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 120.914 -0.314 . . . . 2.13 111.397 -175.61 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.761 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 8.9 p -130.82 -2.54 4.14 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 119.353 -0.939 . . . . 1.15 111.218 -171.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.86 39.31 55.16 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.346 -0.843 . . . . 1.01 114.228 168.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.761 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 57.6 mttt -92.07 131.54 37.26 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.355 -0.609 . . . . 1.97 109.355 174.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.684 HD23 ' HG2' ' A' ' 79' ' ' LYS . 3.9 mm? -90.85 121.17 32.48 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.183 0.516 . . . . 0.87 110.987 -174.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 86.3 m-85 -116.31 136.14 53.26 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.495 -0.775 . . . . 0.62 109.896 177.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.594 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 64.1 p -85.33 -3.37 58.81 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.223 -0.899 . . . . 0.61 110.04 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 101' ' ' GLY . 24.9 m -133.34 128.54 35.89 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 114.514 -1.221 . . . . 0.79 109.042 175.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 26.1 p -67.52 -23.24 65.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.274 -0.421 . . . . 0.74 110.9 -177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.468 ' H ' HG22 ' A' ' 99' ' ' THR . . . -73.08 -46.07 29.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.925 -0.655 . . . . 0.71 112.28 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.436 ' H ' HG22 ' A' ' 99' ' ' THR . 12.2 m120 -56.03 -38.24 70.29 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.541 -0.911 . . . . 1.4 108.541 172.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 88' ' ' TYR . 19.5 tp -66.14 -52.58 47.06 Favored 'General case' 0 N--CA 1.419 -2.019 0 CA-C-N 113.803 -1.544 . . . . 0.54 109.46 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.685 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 39.2 ttmt -51.88 -49.33 63.2 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.302 -1.317 . . . . 2.27 112.431 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.626 ' HA ' HD22 ' A' ' 108' ' ' LEU . 35.8 ptt180 -66.98 -26.95 67.06 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.724 -0.79 . . . . 4.34 110.004 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.707 ' O ' HG22 ' A' ' 109' ' ' VAL . 72.5 t60 -78.98 -16.8 56.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 0.96 110.481 174.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.685 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.5 mm100 -82.92 -27.14 30.83 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.938 -1.875 . . . . 1.53 105.938 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -83.06 -17.56 42.79 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 112.552 -2.113 . . . . 1.18 111.212 -176.315 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.707 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -76.03 -19.49 15.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 C-N-CA 119.7 -0.8 . . . . 1.27 109.22 175.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.472 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 89.7 m-70 -95.08 -1.59 51.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.447 -0.797 . . . . 1.32 110.725 177.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.0 m -151.85 37.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.524 0.678 . . . . 1.93 109.448 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.15 -1.361 . . . . 2.49 111.625 -171.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.4 mttm . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.805 0.336 . . . . 4.18 111.161 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.66 117.75 5.18 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 122.892 2.395 . . . . 2.07 109.956 169.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.449 ' HB3' HD22 ' A' ' 75' ' ' LEU . 41.5 m-85 -88.88 93.74 9.7 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.307 -0.861 . . . . 2.4 109.649 -175.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.677 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -108.21 145.24 16.29 Favored Glycine 0 N--CA 1.433 -1.552 0 C-N-CA 120.135 -1.031 . . . . 1.34 113.724 -172.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 22.0 t -60.74 122.34 14.54 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.808 -1.196 . . . . 1.27 110.338 177.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.12 -18.3 64.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.397 0.618 . . . . 3.94 110.397 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.554 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -82.15 -47.38 12.59 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.133 -0.939 . . . . 1.76 112.024 -173.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.2 p -121.74 -21.88 5.99 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.375 0.607 . . . . 1.32 110.27 -169.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.27 39.38 5.7 Favored Glycine 0 N--CA 1.437 -1.26 0 CA-C-N 115.189 -0.914 . . . . 1.31 113.781 168.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 61' ' ' GLY . 64.6 mttm -110.43 120.27 41.87 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.814 -0.439 . . . . 2.43 109.814 176.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.677 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -87.86 135.15 33.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.211 0.529 . . . . 1.39 111.004 -177.494 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.656 ' CD2' HD22 ' A' ' 74' ' ' LEU . 40.4 m-85 -112.99 162.67 15.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.524 -0.762 . . . . 1.33 111.517 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -79.43 -41.7 27.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.436 -0.802 . . . . 3.89 110.592 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.839 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 6.0 mp -105.22 148.53 26.85 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.21 -0.45 . . . . 1.92 111.111 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.93 -45.54 98.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.563 -0.744 . . . . 1.59 109.274 171.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -38.61 87.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 1.77 110.39 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.839 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -57.67 -49.88 75.03 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.455 0.645 . . . . 1.15 111.392 177.435 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 5.1 tp -70.13 -30.55 67.76 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 114.935 -1.029 . . . . 1.08 110.15 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -71.23 -34.22 70.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.221 -0.9 . . . . 1.34 109.557 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -80.66 -22.5 40.4 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.299 -0.864 . . . . 0.64 110.143 178.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.436 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 20.3 t60 -67.15 -48.37 68.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.073 -0.967 . . . . 0.72 109.191 169.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -77.2 -20.24 55.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.464 -0.789 . . . . 2.06 109.804 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.944 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 18.4 ttmt -70.92 -43.61 67.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.272 -0.876 . . . . 0.85 110.102 169.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 23.7 tpt180 -65.56 -30.07 70.76 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.315 -0.402 . . . . 3.88 111.997 -173.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.436 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 56.9 m-70 -60.27 -24.01 64.59 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.787 0.327 . . . . 1.03 111.288 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 m -118.23 20.8 13.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.211 0.529 . . . . 1.45 110.401 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.43 -59.34 4.38 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.294 -0.723 . . . . 0.67 111.294 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.944 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 6.8 pt-20 -153.42 141.2 20.07 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.663 -0.866 . . . . 2.0 108.663 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.57 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -90.94 95.12 9.96 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.121 0.486 . . . . 0.78 110.324 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.56 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 10.2 mmm180 -82.85 -91.61 0.07 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.388 -0.823 . . . . 2.3 111.565 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.684 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 27.3 m-85 -90.86 152.24 20.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.883 -1.053 . . . . 0.83 111.047 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.724 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 29.8 mtt180 -108.83 154.5 22.01 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.351 -0.981 . . . . 3.33 108.351 168.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.591 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 5.5 t -71.0 122.92 20.89 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 106.643 -1.614 . . . . 0.91 106.643 168.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -61.61 -3.03 0.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.996 0.369 . . . . 1.6 111.996 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.497 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.3 p30 -118.75 -36.97 3.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.402 -0.363 . . . . 2.13 111.966 -174.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.646 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 9.3 p -130.43 3.44 4.65 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 119.738 -0.785 . . . . 1.15 110.812 -171.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.65 36.69 90.53 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.221 -0.9 . . . . 1.01 114.604 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.646 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 15.6 mtpp -79.78 140.25 36.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.304 -0.628 . . . . 1.97 109.304 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.724 ' CD1' ' HG3' ' A' ' 89' ' ' ARG . 3.4 mm? -96.38 114.24 25.9 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.277 0.561 . . . . 0.87 110.548 -176.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 83.5 m-85 -112.89 135.43 53.67 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.309 -0.859 . . . . 0.62 109.893 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.56 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 44.6 p -79.45 -13.52 59.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.95 -1.023 . . . . 0.61 109.621 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 102' ' ' ASN . 53.9 m -123.87 127.92 48.73 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 114.379 -1.282 . . . . 0.79 109.289 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 17.8 p -68.35 -25.71 65.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 0.74 111.14 -178.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.04 -41.82 26.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.994 -0.622 . . . . 0.71 112.571 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.56 ' H ' HG22 ' A' ' 99' ' ' THR . 4.4 m-20 -59.04 -36.43 74.98 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 108.248 -1.019 . . . . 1.4 108.248 172.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 88' ' ' TYR . 15.4 tp -65.77 -57.58 7.66 Favored 'General case' 0 N--CA 1.415 -2.204 0 CA-C-N 113.933 -1.485 . . . . 0.54 109.204 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.799 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 41.6 ttmt -47.86 -50.54 26.01 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.448 -1.251 . . . . 2.27 112.499 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.601 ' HA ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -62.3 -29.6 70.55 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.441 -0.503 . . . . 4.34 110.341 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.74 ' O ' HG22 ' A' ' 109' ' ' VAL . 78.8 t60 -79.22 -19.1 51.59 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.96 110.759 176.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.799 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 8.0 mt-30 -81.38 -25.97 35.85 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 106.527 -1.657 . . . . 1.53 106.527 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -82.67 -15.68 51.1 Favored 'General case' 0 C--O 1.206 -1.205 0 CA-C-N 112.872 -1.967 . . . . 1.18 111.533 -176.236 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.9 m -78.67 -16.65 13.59 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.76 -0.83 . . . . 1.27 108.76 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.505 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 71.7 m-70 -89.49 -13.59 37.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.226 -0.897 . . . . 1.32 110.696 175.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.8 p -141.41 34.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.537 0.684 . . . . 1.93 109.515 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.537 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.3 -1.278 . . . . 2.49 111.244 -171.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 75.1 mmtt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.465 -0.568 . . . . 4.18 109.465 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.78 116.84 4.64 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 122.342 2.028 . . . . 2.07 111.626 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 52.7 m-85 -124.11 105.51 9.6 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.255 -1.339 . . . . 2.4 109.728 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.805 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -106.93 162.14 13.62 Favored Glycine 0 N--CA 1.435 -1.41 0 C-N-CA 119.745 -1.216 . . . . 1.34 113.86 -171.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.569 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 45.2 t -80.13 141.65 35.55 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 113.989 -1.105 . . . . 1.27 110.347 177.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -85.19 -26.77 26.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.416 0.627 . . . . 3.94 110.088 177.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.17 -35.0 17.63 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.521 -0.763 . . . . 1.76 112.156 -167.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.1 p -114.73 -27.06 7.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.897 0.856 . . . . 1.32 108.925 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.569 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 86.31 35.8 10.43 Favored Glycine 0 N--CA 1.434 -1.47 0 CA-C-N 114.173 -1.376 . . . . 1.31 114.059 169.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -110.82 136.91 49.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.99 0.395 . . . . 2.43 110.075 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.805 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -90.37 137.4 32.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.063 0.458 . . . . 1.39 111.43 -177.195 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.592 ' CD2' HD22 ' A' ' 74' ' ' LEU . 19.2 m-85 -109.62 168.82 9.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.386 0.612 . . . . 1.33 111.759 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -83.2 -40.49 19.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.632 -1.167 . . . . 3.89 111.443 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 8.0 mp -115.81 159.39 21.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 1.92 111.697 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 10.0 mm -63.84 -50.58 76.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.514 -0.766 . . . . 1.59 109.965 172.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 20.0 t -66.77 -27.02 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 1.77 110.302 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.93 -53.09 59.45 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.357 0.598 . . . . 1.15 110.649 174.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HG ' ' HE3' ' A' ' 79' ' ' LYS . 13.2 tp -70.0 -27.18 64.49 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.088 -0.96 . . . . 1.08 109.865 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -68.44 -38.53 81.23 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.776 -1.102 . . . . 1.34 109.709 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.9 mm? -80.23 -20.41 44.65 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.513 0.673 . . . . 0.64 109.897 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.588 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 49.1 t60 -68.74 -45.21 72.06 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.085 -0.962 . . . . 0.72 109.723 171.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.698 ' HD3' HD23 ' A' ' 96' ' ' LEU . 16.5 ptpt -80.73 -20.44 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.062 -0.517 . . . . 2.06 109.833 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.604 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 32.8 ttmt -71.67 -38.67 70.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.633 -0.712 . . . . 0.85 109.367 168.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -59.25 -43.07 92.46 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.09 -0.505 . . . . 3.88 112.055 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.588 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 95.2 m-70 -67.51 -29.12 68.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.736 0.303 . . . . 1.03 111.505 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 m -105.48 9.25 33.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.752 0.31 . . . . 1.45 111.42 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.62 -59.12 4.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.582 -0.818 . . . . 0.67 111.291 -175.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.901 ' HG3' ' HE ' ' A' ' 87' ' ' ARG . 1.1 pm0 -132.46 -169.15 2.18 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 108.857 -0.794 . . . . 2.0 108.857 172.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.574 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -152.25 98.76 2.45 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.518 -0.549 . . . . 0.78 109.518 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.901 ' HE ' ' HG3' ' A' ' 85' ' ' GLU . 20.5 mmt180 -93.03 -77.28 0.45 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.468 0.651 . . . . 2.3 111.495 -170.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.717 ' HB3' HD22 ' A' ' 103' ' ' LEU . 9.9 m-85 -93.52 150.78 20.17 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.741 -1.118 . . . . 0.83 109.816 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 13.2 ptt-85 -122.96 153.82 39.22 Favored 'General case' 0 CA--C 1.494 -1.202 0 CA-C-O 121.766 0.793 . . . . 3.33 109.011 167.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.562 ' C ' ' H ' ' A' ' 92' ' ' ASP . 12.6 t -68.28 109.43 3.6 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.911 -1.514 . . . . 0.91 106.911 166.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.6 13.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.56 0.695 . . . . 1.6 110.484 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.562 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -106.9 -47.77 3.64 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.807 -1.088 . . . . 2.13 109.743 178.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.743 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 13.7 p -130.54 -5.85 4.18 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.989 -0.684 . . . . 1.15 111.034 -173.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.76 40.39 26.5 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.328 -0.851 . . . . 1.01 113.964 169.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.743 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 60.3 mttt -93.12 129.32 39.15 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.192 -0.67 . . . . 1.97 109.192 173.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.698 HD23 ' HD3' ' A' ' 79' ' ' LYS . 4.1 mm? -94.1 114.95 27.2 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.087 0.47 . . . . 0.87 111.025 -173.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -108.14 141.24 40.17 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.468 -0.787 . . . . 0.62 109.897 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.475 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 65.8 p -94.08 13.23 23.73 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 122.134 0.968 . . . . 0.61 109.837 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 102' ' ' ASN . 33.7 m -149.35 128.62 12.88 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 113.979 -1.464 . . . . 0.79 108.678 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.3 p -66.55 -28.13 68.29 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.211 -0.449 . . . . 0.74 110.769 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.51 -42.71 72.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.877 -0.678 . . . . 0.71 112.434 174.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 4.6 m-20 -59.58 -38.23 80.63 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.463 -0.94 . . . . 1.4 108.463 173.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 88' ' ' TYR . 30.8 tp -65.39 -54.78 23.71 Favored 'General case' 0 N--CA 1.418 -2.066 0 CA-C-N 113.894 -1.503 . . . . 0.54 109.345 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.631 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 83.7 mttt -48.42 -51.33 27.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.51 -1.223 . . . . 2.27 112.589 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.578 ' O ' HG13 ' A' ' 109' ' ' VAL . 8.0 ppt_? -62.37 -29.4 70.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.107 -0.637 . . . . 4.34 110.203 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.692 ' O ' HG22 ' A' ' 109' ' ' VAL . 78.0 t60 -80.68 -17.82 49.92 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.253 0.549 . . . . 0.96 111.112 175.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.631 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.4 mm100 -82.57 -24.54 33.92 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.802 -1.555 . . . . 1.53 106.802 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -83.71 -27.46 28.97 Favored 'General case' 0 C--O 1.202 -1.402 0 CA-C-N 113.215 -1.812 . . . . 1.18 110.665 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.5 m -66.29 -21.24 28.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 C-N-CA 119.729 -0.788 . . . . 1.27 109.34 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.45 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 89.4 m-70 -87.8 -1.49 58.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.548 -0.751 . . . . 1.32 111.875 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 t -162.91 40.04 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.879 0.847 . . . . 1.93 108.906 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.767 -1.106 . . . . 2.49 111.49 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.057 -0.349 . . . . 4.18 110.057 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.36 115.64 3.45 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.19 1.926 . . . . 2.07 111.503 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -129.48 97.12 4.46 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 114.383 -1.281 . . . . 2.4 108.941 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 1.047 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -101.98 150.98 18.38 Favored Glycine 0 N--CA 1.426 -1.984 0 C-N-CA 120.015 -1.088 . . . . 1.34 113.285 -171.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 64' ' ' GLU . 1.4 t -76.88 98.84 5.0 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.409 -0.96 . . . . 1.27 108.409 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.18 -5.83 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.126 0.965 . . . . 3.94 109.839 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 62' ' ' CYS . 1.5 tt0 -82.77 -38.87 22.58 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.007 -1.451 . . . . 1.76 111.725 -177.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 p -129.04 -14.17 4.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.153 0.501 . . . . 1.32 111.086 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.28 26.59 17.97 Favored Glycine 0 N--CA 1.434 -1.458 0 CA-C-N 115.573 -0.739 . . . . 1.31 114.198 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -111.97 119.34 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.545 -0.385 . . . . 2.43 110.852 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 1.047 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -87.48 138.44 31.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 1.39 110.88 178.753 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.583 ' CD2' HD22 ' A' ' 74' ' ' LEU . 34.0 m-85 -113.3 174.71 5.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.0 -0.545 . . . . 1.33 111.442 178.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.48 ' C ' HD13 ' A' ' 71' ' ' LEU . 22.3 mmm180 -96.08 -37.63 10.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.733 -0.667 . . . . 3.89 111.088 -172.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.672 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -112.08 161.3 16.64 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.255 -0.278 . . . . 1.92 110.389 178.469 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.3 mm -66.02 -47.9 83.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.851 -0.426 . . . . 1.59 109.851 174.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 t -61.38 -35.63 78.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 1.77 110.417 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.672 HD12 HD22 ' A' ' 71' ' ' LEU . 1.2 mt -54.32 -55.5 27.76 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.578 0.704 . . . . 1.15 111.593 174.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 17.9 tp -68.7 -30.61 69.3 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.549 -1.205 . . . . 1.08 109.656 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -70.15 -43.45 70.86 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.141 -1.39 . . . . 1.34 109.343 -176.674 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.788 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.4 mm? -80.99 -20.94 40.77 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 115.18 -0.918 . . . . 0.64 110.339 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.409 ' HD1' ' HH ' ' A' ' 69' ' ' TYR . 23.4 t60 -64.92 -43.19 93.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.924 -0.769 . . . . 0.72 108.924 169.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.872 ' HD3' HD23 ' A' ' 96' ' ' LEU . 14.0 ttmm -66.93 -31.55 72.21 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.369 -0.832 . . . . 2.06 109.26 178.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 1.008 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 13.5 mptt -62.38 -47.07 85.76 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.579 -0.737 . . . . 0.85 110.78 169.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.788 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 30.0 mmm180 -54.79 -26.95 38.02 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.12 0.415 . . . . 3.88 112.12 -176.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -64.9 -45.21 86.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.18 -0.464 . . . . 1.03 112.072 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 p -130.14 30.5 4.78 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.199 0.444 . . . . 1.45 112.199 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.1 -57.56 4.61 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.193 -0.763 . . . . 0.67 111.193 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 1.008 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.2 pm0 -137.14 -172.75 3.27 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 109.248 -0.649 . . . . 2.0 109.248 173.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.495 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -145.17 100.35 3.46 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.082 -0.71 . . . . 0.78 109.082 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.676 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 23.1 mmm180 -96.37 -80.32 0.43 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.308 0.575 . . . . 2.3 111.696 -170.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.653 ' HB3' HD22 ' A' ' 103' ' ' LEU . 10.0 m-85 -88.16 154.61 20.31 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.101 -0.954 . . . . 0.83 109.984 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.559 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 19.5 ptt180 -124.25 150.33 45.45 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 119.884 -0.726 . . . . 3.33 110.073 170.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.495 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 19.3 t -60.58 123.39 17.24 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.182 -1.372 . . . . 0.91 108.124 171.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.55 6.17 2.0 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.025 0.44 . . . . 1.6 111.129 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.495 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -116.08 -43.34 2.98 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.092 -0.504 . . . . 2.13 111.173 -178.189 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.5 p -130.19 1.09 4.67 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 119.611 -0.836 . . . . 1.15 110.468 -171.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.6 36.06 75.63 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.169 -0.923 . . . . 1.01 113.403 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 9.4 mmtp -81.49 125.5 30.54 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 123.017 0.527 . . . . 1.97 110.262 174.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.872 HD23 ' HD3' ' A' ' 79' ' ' LYS . 3.7 mm? -89.31 126.53 35.56 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.279 0.561 . . . . 0.87 111.21 -175.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.526 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 90.2 m-85 -124.22 141.67 51.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.399 -0.819 . . . . 0.62 110.239 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.574 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 81.4 p -88.68 4.06 48.53 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.001 0.905 . . . . 0.61 110.023 -178.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 102' ' ' ASN . 50.9 m -143.83 128.85 18.57 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.31 -1.314 . . . . 0.79 109.158 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.558 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 9.1 p -67.27 -27.48 67.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 0.74 111.133 -176.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -73.99 -41.85 39.14 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.783 -0.722 . . . . 0.71 112.164 175.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.51 ' H ' HG22 ' A' ' 99' ' ' THR . 11.4 m120 -59.2 -38.13 79.14 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 108.308 -0.997 . . . . 1.4 108.308 173.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 88' ' ' TYR . 14.2 tp -65.02 -51.74 59.92 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 113.475 -1.693 . . . . 0.54 109.4 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.429 ' O ' HD13 ' A' ' 108' ' ' LEU . 21.1 ttmm -50.2 -48.43 54.25 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.358 -1.292 . . . . 2.27 111.533 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.602 ' O ' HG13 ' A' ' 109' ' ' VAL . 10.4 mmm180 -56.58 -44.28 80.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.411 . . . . 4.34 109.919 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 109' ' ' VAL . 70.6 t60 -69.16 -18.76 63.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.812 -0.631 . . . . 0.96 111.29 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 12.5 mm-40 -81.76 -29.0 33.01 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 107.452 -1.314 . . . . 1.53 107.452 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.486 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -82.36 -18.45 42.06 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 113.488 -1.687 . . . . 1.18 110.85 -175.413 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.9 m -77.29 -19.56 14.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 C-N-CA 119.94 -0.704 . . . . 1.27 109.254 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.561 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 84.4 m-70 -87.99 -9.22 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.621 -0.718 . . . . 1.32 111.234 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 p -158.55 41.54 0.25 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.479 0.656 . . . . 1.93 110.412 -176.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.499 -1.167 . . . . 2.49 112.325 -173.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 56.3 tttp . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.383 -0.599 . . . . 4.18 109.383 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.62 117.06 3.78 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.451 2.101 . . . . 2.07 111.513 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.56 ' CE1' ' HD3' ' A' ' 58' ' ' LYS . 43.5 m-85 -120.61 99.65 6.67 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 114.316 -1.311 . . . . 2.4 108.588 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.761 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -114.37 144.21 18.24 Favored Glycine 0 N--CA 1.432 -1.567 0 C-N-CA 119.505 -1.331 . . . . 1.34 114.283 -171.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 3.2 t -66.93 106.88 2.04 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.585 -1.307 . . . . 1.27 109.939 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.64 -6.94 8.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.49 0.662 . . . . 3.94 110.76 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.8 tt0 -84.62 -42.9 14.93 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.008 -0.996 . . . . 1.76 111.487 -176.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 p -127.9 -18.39 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.083 0.468 . . . . 1.32 110.732 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.05 28.51 13.39 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 115.803 -0.635 . . . . 1.31 114.334 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -104.92 124.59 49.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.08 0.44 . . . . 2.43 109.821 173.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.761 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 1.0 OUTLIER -97.51 143.03 28.63 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.538 0.685 . . . . 1.39 110.962 178.564 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.605 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 58.0 m-85 -123.0 147.35 46.74 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.723 -1.126 . . . . 1.33 110.332 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.54 ' HG3' HD22 ' A' ' 71' ' ' LEU . 24.2 ptt180 -76.21 -32.12 58.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.923 -0.581 . . . . 3.89 111.721 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -104.17 153.33 21.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 120.667 -0.413 . . . . 1.92 110.805 177.402 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 14.5 mm -64.89 -49.22 80.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.227 -0.442 . . . . 1.59 110.148 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 m -61.2 -27.66 68.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 1.77 111.132 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 2.2 mt -60.81 -56.59 19.34 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.686 0.755 . . . . 1.15 111.521 174.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.0 tp -70.94 -24.73 62.49 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 114.459 -1.246 . . . . 1.08 109.517 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -69.08 -40.0 78.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.304 -1.316 . . . . 1.34 109.264 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.566 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -80.91 -19.89 43.34 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.641 -0.708 . . . . 0.64 110.654 178.428 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -66.94 -46.48 74.61 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.23 -0.895 . . . . 0.72 108.891 171.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 79' ' ' LYS . 15.3 ttmm -70.74 -38.65 73.54 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.409 -0.814 . . . . 2.06 109.608 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.804 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 27.0 ttmt -59.31 -37.99 79.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.633 -0.712 . . . . 0.85 110.351 173.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -66.21 -29.58 69.87 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.088 0.403 . . . . 3.88 112.088 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -67.53 -50.53 58.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.147 -0.346 . . . . 1.03 111.241 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m -92.75 15.17 15.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.019 0.438 . . . . 1.45 111.347 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.87 -47.48 3.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.849 -0.691 . . . . 0.67 112.017 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.804 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.1 pt-20 -155.01 149.8 26.64 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 108.905 -0.776 . . . . 2.0 108.905 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.729 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -98.64 91.14 4.99 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.243 0.544 . . . . 0.78 109.941 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.513 ' HG2' ' HG3' ' A' ' 85' ' ' GLU . 28.7 mmt180 -84.63 -90.69 0.09 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.444 -0.798 . . . . 2.3 111.507 -178.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.748 ' HB3' HD22 ' A' ' 103' ' ' LEU . 33.0 m-85 -86.22 149.96 24.72 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.778 -1.101 . . . . 0.83 109.664 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.623 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 39.5 ptt180 -125.77 148.47 49.09 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 120.113 -0.635 . . . . 3.33 109.643 169.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.633 ' HA ' ' OE1' ' A' ' 107' ' ' GLN . 46.9 t -55.61 120.8 7.81 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.588 -1.187 . . . . 0.91 108.392 173.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.51 6.34 0.64 Allowed 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.616 0.572 . . . . 1.6 111.32 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -120.97 -40.81 2.59 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.282 -0.417 . . . . 2.13 111.979 -178.63 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.3 p -131.35 -1.94 3.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 119.463 -0.895 . . . . 1.15 111.464 -171.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.39 38.25 39.2 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.746 -0.661 . . . . 1.01 113.755 171.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.63 ' HB3' ' CE1' ' A' ' 97' ' ' PHE . 5.5 mmtm -82.7 125.94 31.8 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 123.362 0.665 . . . . 1.97 110.293 172.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.619 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.7 mm? -91.71 125.82 36.57 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.948 0.404 . . . . 0.87 111.127 -175.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 95' ' ' LYS . 75.3 m-85 -126.03 146.99 49.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.433 -0.803 . . . . 0.62 110.278 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -96.06 10.19 38.34 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.705 0.764 . . . . 0.61 110.118 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.532 HG22 ' H ' ' A' ' 102' ' ' ASN . 37.4 m -146.68 128.85 15.66 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.744 -1.116 . . . . 0.79 108.718 177.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.47 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 19.6 p -68.62 -28.61 67.06 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.334 0.396 . . . . 0.74 111.304 -175.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.11 -35.66 37.78 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.464 -0.874 . . . . 0.71 112.683 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.532 ' H ' HG22 ' A' ' 99' ' ' THR . 96.4 m-20 -65.9 -37.26 85.63 Favored 'General case' 0 CA--C 1.49 -1.358 0 N-CA-C 107.885 -1.154 . . . . 1.4 107.885 173.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' A' ' 88' ' ' TYR . 12.4 tp -62.29 -52.27 64.38 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-N 113.476 -1.693 . . . . 0.54 108.899 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 38.2 ttpt -52.19 -44.53 64.76 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 114.097 -1.41 . . . . 2.27 111.539 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.576 ' O ' HG13 ' A' ' 109' ' ' VAL . 3.3 mmp_? -51.87 -47.04 64.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.004 0.43 . . . . 4.34 109.945 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.67 ' O ' HG22 ' A' ' 109' ' ' VAL . 74.2 t60 -71.87 -17.82 62.1 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.417 -0.811 . . . . 0.96 111.994 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.633 ' OE1' ' HA ' ' A' ' 90' ' ' CYS . 2.3 mm100 -84.57 -27.6 27.17 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.531 -1.285 . . . . 1.53 107.531 -178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -75.61 -36.26 60.32 Favored 'General case' 0 CA--C 1.484 -1.573 0 CA-C-N 113.37 -1.741 . . . . 1.18 109.949 -178.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.0 m -60.93 -23.9 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-O 121.011 0.434 . . . . 1.27 109.862 -175.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.476 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 75.4 m-70 -76.63 -7.23 54.84 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.682 -0.69 . . . . 1.32 112.301 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 t -157.71 27.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.046 0.927 . . . . 1.93 109.18 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-N 114.534 -1.212 . . . . 2.49 111.362 -174.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.598 0.237 . . . . 4.18 110.664 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.26 119.51 6.8 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.244 2.629 . . . . 2.07 111.508 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.694 ' HB3' HD22 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -125.03 170.2 11.39 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.124 -1.398 . . . . 2.4 107.735 177.392 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.615 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -157.84 152.76 23.99 Favored Glycine 0 N--CA 1.436 -1.353 0 C-N-CA 119.503 -1.332 . . . . 1.34 112.592 175.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.4 t -64.77 112.99 3.49 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.187 -0.507 . . . . 1.27 110.255 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.73 -14.16 19.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.677 0.751 . . . . 3.94 111.298 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -48.71 6.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.327 -0.851 . . . . 1.76 112.225 -175.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.427 ' SG ' ' HD3' ' A' ' 67' ' ' LYS . 26.6 p -116.29 -20.06 9.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.424 0.63 . . . . 1.32 109.639 -167.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.57 19.35 41.44 Favored Glycine 0 N--CA 1.437 -1.274 0 CA-C-N 114.987 -1.006 . . . . 1.31 114.448 166.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.427 ' HD3' ' SG ' ' A' ' 65' ' ' CYS . 4.0 mptp? -93.44 128.84 39.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.864 -0.421 . . . . 2.43 109.864 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.615 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -92.22 146.07 24.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.174 0.511 . . . . 1.39 111.676 -178.619 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 74' ' ' LEU . 43.7 m-85 -123.22 150.42 43.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.441 -0.8 . . . . 1.33 111.694 178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -73.11 -40.3 65.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.503 -1.226 . . . . 3.89 110.86 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.932 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 5.6 mp -105.19 148.05 27.34 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.096 -0.502 . . . . 1.92 110.668 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.645 HD12 ' CD2' ' A' ' 60' ' ' TYR . 12.3 mm -69.76 -41.35 79.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.59 -0.732 . . . . 1.59 109.372 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 19.3 m -67.81 -28.74 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.931 -0.577 . . . . 1.77 110.38 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.932 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.68 -49.68 74.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-O 121.386 0.612 . . . . 1.15 110.86 176.215 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 60' ' ' TYR . 12.6 tp -70.27 -30.46 67.49 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.137 -0.938 . . . . 1.08 109.879 176.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -65.42 -38.58 90.35 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.134 -0.939 . . . . 1.34 109.344 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.604 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -77.68 -21.03 52.68 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.041 -0.981 . . . . 0.64 110.386 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -76.36 -36.15 58.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.717 -0.674 . . . . 0.72 109.64 172.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 79' ' ' LYS . 2.7 tppp? -70.64 -36.82 73.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.245 -1.02 . . . . 2.06 108.245 177.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 1.033 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.4 ttmt -61.76 -45.32 94.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.526 -1.215 . . . . 0.85 110.467 171.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -57.91 -41.43 82.65 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.254 -0.43 . . . . 3.88 112.071 -176.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -71.82 -31.25 66.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.58 0.228 . . . . 1.03 111.56 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.1 m -101.37 13.37 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.899 0.38 . . . . 1.45 111.063 -174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.26 -58.2 5.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.67 111.32 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 1.033 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 7.6 pt-20 -161.04 143.68 12.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.035 -0.728 . . . . 2.0 109.035 175.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.508 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -90.36 94.6 9.81 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.086 0.469 . . . . 0.78 110.644 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.51 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.9 mmm180 -86.18 -84.35 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.932 0.872 . . . . 2.3 111.121 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.63 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.1 m-85 -92.35 157.04 16.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.397 -1.274 . . . . 0.83 109.941 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.61 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 19.1 ptt180 -127.04 148.91 50.11 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 108.942 -0.762 . . . . 3.33 108.942 167.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.612 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 1.8 t -61.62 122.23 14.77 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.559 -1.2 . . . . 0.91 107.936 172.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.69 10.98 0.93 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.973 0.416 . . . . 1.6 111.018 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.493 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.8 p30 -120.18 -38.54 2.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.53 . . . . 2.13 111.471 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 p -130.48 2.34 4.57 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 120.042 -0.663 . . . . 1.15 110.331 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.57 32.73 84.3 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.147 -0.933 . . . . 1.01 114.296 173.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 41.7 mttm -81.61 134.7 35.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.968 0.384 . . . . 1.97 110.714 173.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.63 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -93.11 125.8 37.88 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.118 0.485 . . . . 0.87 110.815 -174.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.562 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 74.8 m-85 -125.59 141.41 52.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.288 -0.869 . . . . 0.62 109.93 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.51 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 73.1 p -83.85 -12.75 55.11 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.536 -0.756 . . . . 0.61 110.136 -177.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 102' ' ' ASN . 43.0 m -125.23 129.5 50.19 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.784 -1.098 . . . . 0.79 109.617 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.457 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 19.1 p -68.13 -27.12 66.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.084 -0.507 . . . . 0.74 111.24 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.406 ' H ' HG22 ' A' ' 99' ' ' THR . . . -78.68 -38.69 23.41 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.908 -0.663 . . . . 0.71 112.732 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.569 ' H ' HG22 ' A' ' 99' ' ' THR . 11.1 m120 -60.63 -40.38 91.72 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 107.736 -1.209 . . . . 1.4 107.736 172.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 88' ' ' TYR . 12.9 tp -60.79 -59.45 5.36 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 113.515 -1.675 . . . . 0.54 109.099 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.632 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -40.07 -54.2 2.3 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.028 1.331 . . . . 2.27 112.717 176.535 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.614 ' O ' HG13 ' A' ' 109' ' ' VAL . 48.3 mtt180 -49.73 -50.39 44.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.543 . . . . 4.34 110.637 175.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.612 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 68.3 t60 -66.69 -17.83 65.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.187 -0.915 . . . . 0.96 111.607 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.632 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 9.4 mt-30 -85.53 -30.8 23.12 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.501 -1.296 . . . . 1.53 107.501 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -76.68 -27.9 55.72 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-N 113.158 -1.837 . . . . 1.18 110.083 -176.393 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 105' ' ' ARG . 5.0 m -69.41 -17.27 21.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 C-N-CA 119.587 -0.845 . . . . 1.27 109.908 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.575 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 71.6 m-70 -83.99 -16.4 44.18 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.623 -0.717 . . . . 1.32 111.265 177.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 m -163.02 51.76 0.17 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.378 0.609 . . . . 1.93 109.896 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.74 -1.033 . . . . 2.49 112.119 -172.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.721 0.296 . . . . 4.18 111.171 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.34 117.64 4.67 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 122.846 2.364 . . . . 2.07 111.309 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' HD22 ' A' ' 75' ' ' LEU . 26.1 m-85 -119.69 103.57 9.5 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.561 -1.2 . . . . 2.4 109.224 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.787 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -112.59 145.76 18.15 Favored Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 119.361 -1.4 . . . . 1.34 113.945 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.553 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 45.7 t -61.01 137.51 58.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.666 -1.267 . . . . 1.27 111.496 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.41 -30.9 62.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.329 -0.851 . . . . 3.94 110.51 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -91.75 -34.98 14.39 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.601 -0.727 . . . . 1.76 112.897 -166.006 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.458 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 23.1 p -115.0 -29.64 6.62 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.854 -0.795 . . . . 1.32 108.854 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 91.51 18.56 44.72 Favored Glycine 0 N--CA 1.433 -1.526 0 CA-C-N 114.363 -1.29 . . . . 1.31 113.642 172.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -88.58 131.0 35.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.782 -0.451 . . . . 2.43 109.782 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.787 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -95.07 138.72 32.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.28 0.562 . . . . 1.39 112.214 -174.728 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.518 ' CD2' HD22 ' A' ' 74' ' ' LEU . 38.4 m-85 -114.89 -178.87 3.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.182 -0.917 . . . . 1.33 110.418 175.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -102.7 -40.47 6.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.141 -0.481 . . . . 3.89 110.969 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 3.6 mp -101.03 151.0 22.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.219 -0.446 . . . . 1.92 110.729 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.559 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 18.5 mm -64.94 -46.9 90.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.601 -0.518 . . . . 1.59 109.601 174.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.431 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 14.6 m -62.55 -34.38 76.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.294 -0.412 . . . . 1.77 110.641 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.9 mt -56.21 -54.78 41.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.972 0.891 . . . . 1.15 111.546 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 60' ' ' TYR . 8.5 tp -72.08 -24.41 61.5 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.157 -1.383 . . . . 1.08 110.002 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -72.03 -37.13 69.81 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.577 -1.192 . . . . 1.34 109.36 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.524 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -80.21 -21.93 42.37 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.347 -0.842 . . . . 0.64 109.904 177.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.557 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 41.2 t60 -67.92 -42.53 80.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.25 -0.886 . . . . 0.72 109.188 170.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.83 ' HD2' HD23 ' A' ' 96' ' ' LEU . 36.1 ttmt -69.97 -38.26 76.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.247 -0.888 . . . . 2.06 108.993 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.944 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 24.9 ttmt -62.55 -36.3 82.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.202 -0.908 . . . . 0.85 110.797 172.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -65.97 -34.63 78.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.816 0.302 . . . . 3.88 111.816 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 83.3 m-70 -72.64 -47.47 47.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.738 0.304 . . . . 1.03 111.125 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.404 ' HB2' HG23 ' A' ' 98' ' ' THR . 63.1 p -73.82 -18.06 61.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.092 0.472 . . . . 1.45 110.61 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.89 -48.02 0.99 Allowed Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 109.862 -1.295 . . . . 0.67 109.862 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.944 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 9.2 pt-20 -161.33 140.93 10.42 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 109.008 -0.738 . . . . 2.0 109.008 172.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.582 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -81.97 93.26 6.91 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.379 0.609 . . . . 0.78 110.703 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 46.8 mmm-85 -83.65 -91.6 0.08 Allowed 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.207 -0.906 . . . . 2.3 111.519 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.645 ' HB3' HD22 ' A' ' 103' ' ' LEU . 18.8 m-85 -86.93 154.98 20.4 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.277 -1.329 . . . . 0.83 109.837 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 21.8 ptt180 -126.58 154.17 44.28 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.623 0.725 . . . . 3.33 109.52 169.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.428 ' HB3' ' H ' ' A' ' 95' ' ' LYS . 43.7 t -66.92 113.22 4.78 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 114.622 -1.172 . . . . 0.91 108.401 169.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.52 1.41 1.2 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.155 0.502 . . . . 1.6 111.033 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 90' ' ' CYS . 12.0 t70 -104.36 -46.24 4.45 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.226 -0.443 . . . . 2.13 110.113 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.693 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 8.6 p -129.45 -2.92 4.9 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 118.911 -1.116 . . . . 1.15 111.669 -174.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.02 39.71 45.13 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.511 -0.768 . . . . 1.01 114.165 167.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.693 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 56.9 mttt -91.28 136.63 32.97 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.183 -0.673 . . . . 1.97 109.183 173.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.83 HD23 ' HD2' ' A' ' 79' ' ' LYS . 3.5 mm? -96.94 122.57 40.07 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.011 0.434 . . . . 0.87 111.221 -172.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 78.5 m-85 -118.82 137.42 53.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.578 -0.737 . . . . 0.62 110.175 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 85' ' ' GLU . 49.0 p -79.1 -4.73 51.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.733 0.778 . . . . 0.61 110.134 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.47 HG22 ' H ' ' A' ' 101' ' ' GLY . 86.0 m -135.56 129.77 33.49 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.461 -1.245 . . . . 0.79 109.465 -175.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 59.9 p -71.56 -23.54 61.77 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.167 -0.308 . . . . 0.74 110.167 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 99' ' ' THR . . . -76.24 -43.47 20.66 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.1 -0.571 . . . . 0.71 112.44 174.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.97 -37.19 81.54 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.199 -1.037 . . . . 1.4 108.199 173.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 88' ' ' TYR . 17.8 tp -64.72 -51.91 59.88 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 113.695 -1.593 . . . . 0.54 108.998 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.616 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 40.5 ttmt -49.84 -49.78 47.8 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.59 -1.186 . . . . 2.27 111.572 179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.522 ' O ' HG13 ' A' ' 109' ' ' VAL . 19.4 mmm180 -51.08 -44.2 61.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.444 0.64 . . . . 4.34 110.404 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.656 ' CE1' ' HD2' ' A' ' 95' ' ' LYS . 71.2 t60 -76.48 -15.65 59.85 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.92 -1.037 . . . . 0.96 111.411 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.616 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.4 mm100 -85.39 -27.89 25.51 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.816 -1.55 . . . . 1.53 106.816 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.639 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -80.45 -13.7 58.9 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-N 113.315 -1.766 . . . . 1.18 110.858 -176.47 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 106' ' ' HIS . 7.0 m -83.66 -17.62 10.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 C-N-CA 119.782 -0.767 . . . . 1.27 109.496 174.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.411 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 60.4 m-70 -94.09 -5.99 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.434 -0.803 . . . . 1.32 110.434 176.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -153.29 43.08 0.6 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.823 0.821 . . . . 1.93 108.838 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.639 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.785 -1.009 . . . . 2.49 111.693 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 58' ' ' LYS . 42.8 mtpt . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.343 0.116 . . . . 4.18 110.704 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -56.57 118.73 5.61 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.852 2.368 . . . . 2.07 110.951 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -106.12 102.24 11.67 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.117 -1.401 . . . . 2.4 108.568 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.82 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -115.5 150.28 18.7 Favored Glycine 0 N--CA 1.425 -2.04 0 C-N-CA 119.131 -1.509 . . . . 1.34 114.905 -167.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -71.94 103.7 3.28 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 113.08 -1.56 . . . . 1.27 109.637 177.608 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.48 -6.58 11.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.038 0.923 . . . . 3.94 109.999 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -38.14 13.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.533 -1.212 . . . . 1.76 112.354 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 11.9 p -127.17 -18.58 4.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.217 0.532 . . . . 1.32 110.679 -174.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.79 26.62 19.23 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-N 115.558 -0.747 . . . . 1.31 114.055 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -110.89 130.39 55.59 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.868 -0.419 . . . . 2.43 109.868 174.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.82 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -104.99 143.52 33.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.051 0.453 . . . . 1.39 111.482 -176.79 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CD2' HD22 ' A' ' 74' ' ' LEU . 31.3 m-85 -113.59 168.92 9.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.403 -0.817 . . . . 1.33 111.943 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' C ' HD13 ' A' ' 71' ' ' LEU . 25.0 ttt180 -83.94 -41.97 16.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.14 -0.936 . . . . 3.89 110.761 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.629 HD22 HD12 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -111.99 164.59 12.95 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.613 -0.267 . . . . 1.92 110.654 179.743 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 15.6 mm -71.08 -42.9 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 109.52 -0.548 . . . . 1.59 109.52 174.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -61.82 -34.94 76.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.101 -0.5 . . . . 1.77 110.506 177.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.629 HD12 HD22 ' A' ' 71' ' ' LEU . 1.7 mt -57.18 -54.68 44.08 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.694 0.759 . . . . 1.15 111.324 175.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.2 tp -72.14 -24.13 61.41 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.713 -1.13 . . . . 1.08 109.623 -178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.2 t-20 -68.01 -37.44 81.44 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.698 -1.137 . . . . 1.34 108.959 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.66 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 1.5 mm? -78.89 -29.79 44.56 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 115.308 -0.86 . . . . 0.64 110.217 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.445 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 67.2 t60 -66.58 -37.76 85.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.537 0.684 . . . . 0.72 109.358 172.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HG3' HD23 ' A' ' 96' ' ' LEU . 17.0 tppt? -73.35 -33.41 65.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.332 -0.849 . . . . 2.06 109.091 178.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.997 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.0 ttmt -67.59 -31.86 72.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.346 -0.843 . . . . 0.85 110.134 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 33.0 mmt180 -59.95 -49.32 78.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.9 0.381 . . . . 3.88 111.301 176.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.445 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 91.7 m-70 -65.59 -33.04 74.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 1.03 111.797 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.7 p -95.02 1.76 55.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.99 0.424 . . . . 1.45 111.638 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.86 -54.74 4.98 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.364 -1.094 . . . . 0.67 110.364 -172.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.997 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 11.3 pt-20 -159.68 145.13 15.61 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.602 -0.888 . . . . 2.0 108.602 169.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.766 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -82.58 94.09 7.44 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.81 -0.632 . . . . 0.78 111.144 -176.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.716 ' HG3' ' HA ' ' A' ' 98' ' ' THR . 22.5 mmm-85 -93.27 -86.39 0.26 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.384 -0.825 . . . . 2.3 111.079 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.691 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 5.2 m-85 -94.7 147.37 23.39 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.339 -0.846 . . . . 0.83 110.287 178.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.757 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 14.4 mtt180 -108.8 154.39 22.14 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.869 0.842 . . . . 3.33 109.359 170.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.554 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 3.3 t -75.76 116.18 16.21 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 106.893 -1.521 . . . . 0.91 106.893 168.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.23 0.03 0.2 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.286 0.476 . . . . 1.6 112.286 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.485 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.3 p30 -113.02 -40.88 3.84 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 111.495 0.183 . . . . 2.13 111.495 -178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.619 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.2 p -130.43 2.54 4.61 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 119.873 -0.731 . . . . 1.15 110.996 -170.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.39 39.07 94.33 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.09 -0.959 . . . . 1.01 114.586 173.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.674 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 38.5 mtpt -80.11 145.78 32.22 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 109.024 -0.732 . . . . 1.97 109.024 169.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.757 ' CD1' ' HG3' ' A' ' 89' ' ' ARG . 3.9 mm? -103.3 118.56 37.04 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.438 0.637 . . . . 0.87 110.713 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.569 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 89.9 m-85 -116.63 139.87 50.04 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.152 -0.931 . . . . 0.62 109.981 177.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.716 ' HA ' ' HG3' ' A' ' 87' ' ' ARG . 71.2 p -88.76 11.38 17.88 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.872 0.844 . . . . 0.61 110.549 -175.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.57 HG22 ' H ' ' A' ' 102' ' ' ASN . 6.6 m -155.31 130.34 9.43 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 114.824 -1.08 . . . . 0.79 108.667 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.466 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 72.4 p -65.8 -25.95 67.47 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.3 -0.409 . . . . 0.74 110.732 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.62 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -71.87 -47.51 32.0 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.948 -0.644 . . . . 0.71 112.155 174.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.57 ' H ' HG22 ' A' ' 99' ' ' THR . 13.4 m120 -55.42 -40.28 71.3 Favored 'General case' 0 CA--C 1.494 -1.2 0 N-CA-C 108.419 -0.956 . . . . 1.4 108.419 173.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 88' ' ' TYR . 20.6 tp -64.72 -51.93 59.8 Favored 'General case' 0 N--CA 1.421 -1.903 0 CA-C-N 113.75 -1.568 . . . . 0.54 109.311 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.617 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 41.4 ttmt -52.46 -48.26 65.96 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.418 -1.264 . . . . 2.27 111.775 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 43.5 mtm180 -56.2 -38.93 71.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.418 0.628 . . . . 4.34 109.98 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.713 ' O ' HG22 ' A' ' 109' ' ' VAL . 79.4 t60 -76.94 -18.59 58.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.343 -0.844 . . . . 0.96 111.236 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.617 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.3 mm100 -81.44 -27.49 34.65 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 106.552 -1.647 . . . . 1.53 106.552 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.668 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -83.14 -8.43 59.51 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 112.907 -1.951 . . . . 1.18 111.335 -175.262 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -87.06 -21.09 7.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 119.676 -0.809 . . . . 1.27 108.931 172.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.532 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 73.6 m-70 -84.21 -15.88 45.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.289 -0.869 . . . . 1.32 109.791 175.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 p -153.13 57.51 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.22 -0.9 . . . . 1.93 109.917 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.668 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.281 -1.288 . . . . 2.49 112.077 -176.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.034 -0.358 . . . . 4.18 110.034 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.98 119.43 6.42 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.213 2.609 . . . . 2.07 112.061 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.423 ' HB3' HD22 ' A' ' 75' ' ' LEU . 28.6 m-85 -93.12 97.33 10.61 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.524 -1.216 . . . . 2.4 108.319 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.685 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -117.98 143.57 17.77 Favored Glycine 0 N--CA 1.434 -1.459 0 C-N-CA 119.693 -1.241 . . . . 1.34 114.519 -169.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.531 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 3.1 t -69.8 104.05 2.35 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.451 -1.375 . . . . 1.27 109.871 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.06 0.75 5.53 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.625 0.726 . . . . 3.94 110.872 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.531 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 2.3 tt0 -81.86 -46.99 13.36 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.947 -1.024 . . . . 1.76 110.736 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.13 -16.53 6.95 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.546 0.689 . . . . 1.32 110.242 -171.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.97 29.06 12.15 Favored Glycine 0 N--CA 1.435 -1.408 0 CA-C-N 115.105 -0.952 . . . . 1.31 113.921 169.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -110.26 128.98 55.8 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.959 -0.385 . . . . 2.43 109.959 176.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.685 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -105.04 138.7 40.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.086 0.47 . . . . 1.39 111.072 -179.323 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 61.3 m-85 -115.65 158.17 23.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.786 -0.643 . . . . 1.33 111.501 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -74.34 -40.56 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.048 -0.978 . . . . 3.89 110.825 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 8.3 mp -108.79 154.99 21.28 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.846 -0.615 . . . . 1.92 111.697 -175.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 21.3 mm -66.59 -42.53 90.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.92 -1.036 . . . . 1.59 109.766 171.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 12.9 m -66.74 -32.2 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.12 0.486 . . . . 1.77 110.407 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.8 mt -59.63 -54.46 46.14 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.711 0.767 . . . . 1.15 111.249 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.9 tp -71.35 -24.08 62.03 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.482 -1.235 . . . . 1.08 109.686 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -67.63 -41.8 83.3 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.504 -1.225 . . . . 1.34 109.354 176.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.7 mm? -78.07 -19.72 53.7 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.235 -0.893 . . . . 0.64 110.286 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -68.97 -44.7 72.37 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.086 -0.709 . . . . 0.72 109.086 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HD2' HD23 ' A' ' 96' ' ' LEU . 36.4 ttmt -68.66 -40.28 80.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.902 -1.044 . . . . 2.06 108.913 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.783 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.2 ttmt -64.91 -34.83 79.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.017 -0.992 . . . . 0.85 110.768 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -62.42 -38.07 88.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.671 -0.241 . . . . 3.88 111.461 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -61.33 -39.04 89.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 1.03 112.126 -176.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p -105.16 17.6 23.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.928 0.394 . . . . 1.45 111.317 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.42 -55.6 4.97 Favored Glycine 0 CA--C 1.507 -0.423 0 N-CA-C 111.402 -0.679 . . . . 0.67 111.402 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 1.068 ' HG3' ' HE ' ' A' ' 87' ' ' ARG . 1.3 pm0 -140.05 -170.35 2.94 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.569 -0.9 . . . . 2.0 108.569 172.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.503 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -144.85 99.13 3.29 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.532 -0.544 . . . . 0.78 109.532 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 1.068 ' HE ' ' HG3' ' A' ' 85' ' ' GLU . 16.2 mmt85 -92.07 -82.01 0.32 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.458 -0.792 . . . . 2.3 111.137 -170.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 24.5 m-85 -88.87 156.42 18.94 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.709 -1.132 . . . . 0.83 109.659 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 23.4 ptt180 -127.0 152.55 47.07 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 108.268 -1.012 . . . . 3.33 108.268 167.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.666 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 0.5 OUTLIER -68.97 112.79 5.84 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.247 -1.39 . . . . 0.91 107.247 170.01 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.81 9.34 0.19 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.611 0.641 . . . . 1.6 111.99 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.482 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.5 p30 -117.76 -35.17 3.99 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.14 -0.482 . . . . 2.13 111.291 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.6 p -130.04 -0.44 4.69 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.585 0.707 . . . . 1.15 110.441 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.75 34.88 84.28 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 114.915 -1.039 . . . . 1.01 114.377 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 42.4 mttp -82.48 131.33 35.22 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 110.275 -0.268 . . . . 1.97 110.275 170.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.592 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.2 mm? -92.1 123.88 35.78 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.249 0.547 . . . . 0.87 110.426 -176.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.566 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 56.9 m-85 -121.44 137.07 54.87 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.473 -0.785 . . . . 0.62 110.01 176.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.456 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 73.0 p -87.38 -5.35 58.9 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.334 -0.848 . . . . 0.61 110.107 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 102' ' ' ASN . 53.8 m -126.61 128.25 46.5 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.575 -1.193 . . . . 0.79 108.516 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 51.4 p -71.83 -24.65 61.74 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.52 -0.309 . . . . 0.74 110.522 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.499 ' HA2' ' HB3' ' A' ' 104' ' ' LYS . . . -75.42 -38.87 37.31 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.68 -0.771 . . . . 0.71 112.402 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.529 ' H ' HG22 ' A' ' 99' ' ' THR . 12.1 m120 -60.82 -40.38 92.54 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 107.932 -1.136 . . . . 1.4 107.932 172.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.583 HD22 ' CB ' ' A' ' 88' ' ' TYR . 15.8 tp -63.5 -55.69 22.02 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 113.538 -1.665 . . . . 0.54 109.555 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.564 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 27.6 ttmt -47.14 -51.62 17.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.406 -1.27 . . . . 2.27 112.708 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.47 ' O ' HG13 ' A' ' 109' ' ' VAL . 49.8 mtt180 -57.0 -38.83 73.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.5 0.667 . . . . 4.34 110.007 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.666 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 56.4 t60 -75.54 -16.34 60.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.959 -1.019 . . . . 0.96 111.168 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.564 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.7 mm-40 -85.71 -27.21 25.45 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.204 -1.406 . . . . 1.53 107.204 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.62 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -82.07 -11.4 58.81 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 113.306 -1.77 . . . . 1.18 111.133 -176.117 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 106' ' ' HIS . 10.2 m -82.88 -20.99 9.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 C-N-CA 119.811 -0.756 . . . . 1.27 108.966 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.509 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 65.7 m-70 -84.98 -11.87 54.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.507 -0.769 . . . . 1.32 110.331 176.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.1 t -156.24 53.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.715 . . . . 1.93 109.068 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.62 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.732 -1.038 . . . . 2.49 111.836 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.156 -0.313 . . . . 4.18 110.156 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -80.97 117.41 3.24 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.499 2.133 . . . . 2.07 112.713 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -124.96 91.03 3.35 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.488 -1.233 . . . . 2.4 107.771 171.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.957 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -109.46 147.41 16.99 Favored Glycine 0 N--CA 1.432 -1.61 0 C-N-CA 119.862 -1.161 . . . . 1.34 113.766 -169.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.65 112.31 6.05 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.961 -1.12 . . . . 1.27 109.478 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.3 -1.11 16.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.172 0.51 . . . . 3.94 111.933 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.42 -40.69 9.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.128 0.418 . . . . 1.76 112.128 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 p -121.81 -0.56 9.58 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.018 0.913 . . . . 1.32 109.226 -171.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.74 36.7 92.63 Favored Glycine 0 N--CA 1.436 -1.351 0 CA-C-N 113.903 -1.499 . . . . 1.31 113.394 173.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -110.85 109.61 19.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.81 -0.441 . . . . 2.43 109.81 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.957 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -88.49 143.73 26.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.195 0.521 . . . . 1.39 110.601 -178.482 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.596 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 34.8 m-85 -120.59 166.02 14.22 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.511 -0.768 . . . . 1.33 110.994 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.491 ' C ' HD13 ' A' ' 71' ' ' LEU . 21.6 mmm180 -80.89 -41.16 23.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.769 -0.651 . . . . 3.89 111.256 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -112.07 161.54 16.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 121.101 -0.24 . . . . 1.92 110.385 -179.727 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.461 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 9.2 mm -68.48 -42.5 83.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.456 -0.572 . . . . 1.59 109.456 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 77' ' ' LEU . 8.9 m -62.05 -35.73 79.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.082 0.467 . . . . 1.77 110.653 177.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 71' ' ' LEU . 1.6 mt -56.1 -55.48 32.46 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.671 0.748 . . . . 1.15 111.35 174.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.3 tp -69.26 -25.81 64.46 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 114.547 -1.206 . . . . 1.08 109.904 -178.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -70.49 -36.71 73.99 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.837 -1.074 . . . . 1.34 109.098 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.579 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.9 mm? -80.6 -19.95 44.36 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.026 -0.988 . . . . 0.64 110.044 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -70.05 -43.09 71.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 0.72 109.466 169.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -70.4 -34.74 72.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.325 -0.852 . . . . 2.06 109.058 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.844 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 27.7 ttmt -66.07 -38.74 89.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.863 -1.062 . . . . 0.85 110.059 171.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -59.96 -40.96 90.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.145 -0.479 . . . . 3.88 111.587 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -57.32 -41.86 80.73 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.886 0.374 . . . . 1.03 111.432 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -95.72 9.36 40.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.133 0.492 . . . . 1.45 110.504 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.88 -58.24 4.92 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.61 -0.996 . . . . 0.67 110.61 -172.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.844 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.0 pm0 -142.15 161.3 38.36 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 108.671 -0.863 . . . . 2.0 108.671 171.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.744 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -114.97 92.85 4.07 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.248 0.547 . . . . 0.78 109.638 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.666 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 30.2 mmm180 -88.02 -92.43 0.11 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.225 -0.898 . . . . 2.3 111.469 -174.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.8 m-85 -87.38 159.67 18.64 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.288 -0.869 . . . . 0.83 110.052 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 27.2 ptt-85 -126.53 151.71 47.5 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 108.235 -1.024 . . . . 3.33 108.235 166.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.622 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 0.8 OUTLIER -65.14 115.45 5.5 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 107.63 -1.248 . . . . 0.91 107.63 172.362 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.87 12.95 0.11 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.908 0.385 . . . . 1.6 111.702 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.498 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.6 p30 -120.54 -37.54 3.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.232 -0.44 . . . . 2.13 111.579 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.455 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.9 p -131.23 4.43 4.38 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.401 0.619 . . . . 1.15 111.027 -173.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.88 34.46 82.96 Favored Glycine 0 C--N 1.333 0.386 0 CA-C-N 115.039 -0.982 . . . . 1.01 114.458 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 49.1 mttp -85.58 129.69 34.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.264 -0.273 . . . . 1.97 110.264 173.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.4 mm? -87.37 121.2 29.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.195 0.521 . . . . 0.87 110.77 -176.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.584 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 66.1 m-85 -119.18 129.54 55.04 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.446 -0.797 . . . . 0.62 110.089 176.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.666 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 39.9 p -72.44 -12.78 61.24 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.655 -1.157 . . . . 0.61 110.897 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.673 HG22 ' H ' ' A' ' 102' ' ' ASN . 8.7 m -131.34 129.42 41.38 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 114.992 -1.004 . . . . 0.79 108.917 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 22.5 p -68.26 -29.05 67.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.294 -0.412 . . . . 0.74 110.879 -176.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -70.29 -40.84 69.74 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.963 -0.637 . . . . 0.71 112.468 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.673 ' H ' HG22 ' A' ' 99' ' ' THR . 96.3 m-20 -62.98 -39.02 93.46 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.41 -0.959 . . . . 1.4 108.41 173.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 97' ' ' PHE . 12.4 tp -62.5 -52.18 64.49 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 113.935 -1.484 . . . . 0.54 109.203 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.575 ' O ' HD13 ' A' ' 108' ' ' LEU . 53.5 mttm -48.19 -49.64 32.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.556 -1.202 . . . . 2.27 112.037 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.531 ' O ' HG13 ' A' ' 109' ' ' VAL . 26.3 mmm180 -54.99 -42.97 73.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.1 0.476 . . . . 4.34 110.046 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.654 ' O ' HG22 ' A' ' 109' ' ' VAL . 65.9 t60 -73.73 -16.53 61.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.458 -0.792 . . . . 0.96 111.291 178.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.559 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 3.9 mm-40 -83.85 -30.59 26.35 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.507 -1.294 . . . . 1.53 107.507 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -78.18 -22.21 48.99 Favored 'General case' 0 C--O 1.205 -1.271 0 CA-C-N 113.436 -1.711 . . . . 1.18 110.515 -175.243 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.9 m -72.39 -21.19 20.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 C-N-CA 119.71 -0.796 . . . . 1.27 109.602 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.524 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 68.0 m-70 -83.34 -16.19 47.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.642 -0.708 . . . . 1.32 111.203 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.7 m -150.49 40.24 0.75 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.56 0.695 . . . . 1.93 109.892 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.499 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.307 -1.274 . . . . 2.49 111.946 -172.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 59' ' ' PRO . 40.2 ttmt . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.254 -0.276 . . . . 4.18 110.254 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.4 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 61.0 Cg_endo -71.83 159.21 51.19 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 122.875 2.383 . . . . 2.07 110.881 172.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.417 ' CE2' HG12 ' A' ' 72' ' ' ILE . 64.3 m-85 -125.39 96.3 4.77 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.278 -1.328 . . . . 2.4 108.848 -175.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 1.0 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -105.95 145.02 15.88 Favored Glycine 0 N--CA 1.428 -1.888 0 C-N-CA 119.915 -1.136 . . . . 1.34 113.597 -169.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.465 ' C ' ' H ' ' A' ' 64' ' ' GLU . 3.6 t -71.37 100.07 2.09 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 113.962 -1.119 . . . . 1.27 109.314 176.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -69.93 3.41 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.866 0.841 . . . . 3.94 110.444 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 62' ' ' CYS . 1.1 tt0 -90.46 -43.07 10.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.39 -1.277 . . . . 1.76 111.446 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.5 p -122.48 -19.12 6.48 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.581 0.705 . . . . 1.32 110.05 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.88 28.43 12.15 Favored Glycine 0 N--CA 1.429 -1.785 0 CA-C-N 114.974 -1.012 . . . . 1.31 113.637 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.57 123.86 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.776 -0.453 . . . . 2.43 109.776 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 1.0 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -99.82 145.82 27.3 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.378 -0.529 . . . . 1.39 110.76 -178.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 30.0 m-85 -117.81 160.1 21.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.847 -0.615 . . . . 1.33 111.822 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . 2.9 tpm_? -73.14 -38.14 66.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.057 -0.974 . . . . 3.89 110.964 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.603 ' HG ' HD12 ' A' ' 74' ' ' LEU . 17.6 mt -120.3 168.21 11.5 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.153 0.501 . . . . 1.92 111.177 -175.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.5 mm -70.09 -53.02 25.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.304 -0.862 . . . . 1.59 110.157 175.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 m -60.44 -30.23 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.236 0.541 . . . . 1.77 110.541 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.603 HD12 ' HG ' ' A' ' 71' ' ' LEU . 3.2 mt -59.59 -55.3 36.26 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.589 -0.732 . . . . 1.15 111.949 174.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.4 tp -72.27 -24.55 61.37 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.201 -0.909 . . . . 1.08 109.27 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.1 t-20 -67.37 -38.92 85.52 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.778 -1.101 . . . . 1.34 109.138 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 3.0 mm? -79.99 -19.53 47.59 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.203 -0.908 . . . . 0.64 110.417 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -72.6 -41.22 65.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.65 -0.704 . . . . 0.72 109.369 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -70.09 -40.48 74.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.731 -0.84 . . . . 2.06 108.731 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 1.066 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.9 ttmt -65.85 -22.78 66.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.503 -1.226 . . . . 0.85 110.618 174.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -75.39 -24.87 57.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 3.88 111.506 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -82.31 -51.13 8.2 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.431 0.53 . . . . 1.03 112.431 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.4 t -104.33 30.95 4.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.932 0.396 . . . . 1.45 111.53 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.15 -53.72 4.79 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.173 -0.771 . . . . 0.67 111.173 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 1.066 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 7.8 pt-20 -165.65 145.97 6.76 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.069 0.462 . . . . 2.0 109.795 172.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.82 99.46 12.46 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.732 0.777 . . . . 0.78 110.646 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.858 ' HD2' ' HA ' ' A' ' 98' ' ' THR . 97.7 mtt180 -89.26 -96.76 0.1 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.645 -1.162 . . . . 2.3 112.879 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.678 ' HB3' HD22 ' A' ' 103' ' ' LEU . 40.5 m-85 -83.68 151.85 25.05 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 113.416 -1.72 . . . . 0.83 109.936 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 36.5 ptt180 -123.48 152.58 41.54 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 120.05 -0.66 . . . . 3.33 109.466 166.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.43 ' HB3' ' H ' ' A' ' 95' ' ' LYS . 41.9 t -58.18 116.59 3.66 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.789 -1.189 . . . . 0.91 107.789 170.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.402 ' H ' ' HG2' ' A' ' 91' ' ' GLU . 8.8 pt-20 -76.48 16.2 0.51 Allowed 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.272 0.558 . . . . 1.6 110.27 -176.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 90' ' ' CYS . 3.0 t70 -120.76 -39.17 2.76 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.743 -0.662 . . . . 2.13 111.018 175.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.702 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 14.7 p -125.79 -19.07 4.98 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 119.23 -0.988 . . . . 1.15 111.607 -177.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 90' ' ' CYS . . . 93.22 34.77 6.57 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 114.381 0.512 . . . . 1.01 114.381 169.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.702 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 65.5 mttt -87.01 134.24 33.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.085 -0.339 . . . . 1.97 110.085 174.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.647 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -88.11 123.03 32.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.153 0.501 . . . . 0.87 110.734 -176.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.527 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 81.3 m-85 -118.29 143.21 46.76 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.379 -0.828 . . . . 0.62 110.212 175.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.858 ' HA ' ' HD2' ' A' ' 87' ' ' ARG . 42.8 p -89.02 -11.69 43.47 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.067 -0.969 . . . . 0.61 110.091 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 102' ' ' ASN . 53.6 m -120.71 127.78 52.34 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.093 -0.958 . . . . 0.79 108.906 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 104' ' ' LYS . 18.6 p -72.22 -23.75 61.28 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.445 -0.343 . . . . 0.74 110.489 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.663 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -73.43 -42.3 41.87 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.734 -0.746 . . . . 0.71 112.602 174.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.557 ' H ' HG22 ' A' ' 99' ' ' THR . 11.4 m120 -63.0 -34.54 77.78 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.176 -1.046 . . . . 1.4 108.176 173.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.678 HD22 ' HB3' ' A' ' 88' ' ' TYR . 10.9 tp -66.96 -52.67 39.96 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-N 114.333 -1.303 . . . . 0.54 109.928 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 101' ' ' GLY . 36.4 pttt -58.54 -42.06 86.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.336 -1.302 . . . . 2.27 111.593 -175.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.663 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 42.6 mtm180 -63.2 -35.73 81.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 4.34 109.583 176.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.658 ' CE1' ' HD2' ' A' ' 95' ' ' LYS . 58.5 t60 -73.32 -17.78 61.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.634 -1.166 . . . . 0.96 111.256 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 12.7 mm-40 -85.28 -27.58 25.89 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.778 -1.193 . . . . 1.53 107.778 178.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.607 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -82.97 -13.16 56.52 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 113.358 -1.746 . . . . 1.18 111.019 -175.757 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 106' ' ' HIS . 11.3 m -81.08 -19.47 11.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 N-CA-C 108.79 -0.818 . . . . 1.27 108.79 173.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -86.45 -12.23 49.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.361 -0.836 . . . . 1.32 110.677 176.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.6 p -153.18 47.61 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.574 0.702 . . . . 1.93 109.84 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.607 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.659 -1.078 . . . . 2.49 112.178 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.609 ' HD2' ' HD2' ' A' ' 59' ' ' PRO . 24.2 tptm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.038 -0.356 . . . . 4.18 110.038 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.609 ' HD2' ' HD2' ' A' ' 58' ' ' LYS . 86.9 Cg_endo -82.08 119.23 3.13 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.947 2.431 . . . . 2.07 112.83 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.501 ' HB3' HD22 ' A' ' 75' ' ' LEU . 45.0 m-85 -123.3 100.86 7.05 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.456 -1.247 . . . . 2.4 108.49 171.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.71 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -114.13 144.66 18.33 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 119.983 -1.103 . . . . 1.34 113.471 -171.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.2 t -60.42 124.84 21.55 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.226 -0.987 . . . . 1.27 109.911 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.78 -11.1 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.481 0.658 . . . . 3.94 110.25 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.421 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -92.17 -40.35 11.06 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.402 -0.817 . . . . 1.76 112.128 -172.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.421 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 18.3 p -118.19 -25.67 6.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.868 0.842 . . . . 1.32 109.665 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.85 20.9 35.22 Favored Glycine 0 N--CA 1.429 -1.796 0 CA-C-N 114.593 -1.185 . . . . 1.31 113.366 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.74 122.54 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.799 -0.445 . . . . 2.43 109.799 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.71 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -91.29 142.18 27.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 1.39 111.646 -177.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.531 ' CD2' HD22 ' A' ' 74' ' ' LEU . 54.4 m-85 -123.34 161.48 24.59 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.528 -0.76 . . . . 1.33 110.268 175.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.05 -36.08 17.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.768 -0.651 . . . . 3.89 110.271 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 2.7 mp -102.37 150.92 22.86 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.619 -0.719 . . . . 1.92 110.683 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 10.7 mm -65.57 -46.95 88.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 1.59 110.121 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 54.9 m -65.97 -27.87 68.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 1.77 110.64 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 2.0 mt -60.02 -54.7 42.87 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.711 0.767 . . . . 1.15 111.309 174.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 60' ' ' TYR . 11.5 tp -69.64 -27.25 64.9 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.46 -1.245 . . . . 1.08 109.976 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -69.49 -37.75 77.36 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.499 -1.228 . . . . 1.34 108.967 179.419 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.705 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 0.7 OUTLIER -76.99 -28.84 55.24 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 115.134 -0.939 . . . . 0.64 110.021 177.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 81' ' ' ARG . 48.4 t60 -61.47 -41.76 97.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.72 109.745 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.77 ' HG2' HD23 ' A' ' 96' ' ' LEU . 1.2 tppp? -71.45 -26.57 62.78 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.63 -0.878 . . . . 2.06 108.63 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.763 ' HE2' ' H ' ' A' ' 86' ' ' ALA . 32.0 ttmt -70.38 -38.92 74.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.223 -0.898 . . . . 0.85 110.086 171.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 38.0 mmt180 -54.41 -47.45 72.76 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.845 0.355 . . . . 3.88 111.411 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -62.99 -22.13 66.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.642 -0.708 . . . . 1.03 112.777 -173.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.5 m -117.01 12.2 14.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.032 0.444 . . . . 1.45 110.663 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.71 -53.96 4.35 Favored Glycine 0 N--CA 1.453 -0.206 0 N-CA-C 111.405 -0.678 . . . . 0.67 111.405 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.581 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.3 pt-20 -135.01 169.17 17.83 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 107.544 -1.28 . . . . 2.0 107.544 176.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.763 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -124.0 101.07 7.04 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.524 -0.547 . . . . 0.78 109.524 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.596 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.3 mmm180 -90.16 -80.71 0.31 Allowed 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.71 -0.677 . . . . 2.3 110.92 -174.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.667 ' HB3' HD22 ' A' ' 103' ' ' LEU . 18.9 m-85 -97.17 151.41 19.85 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.837 -1.074 . . . . 0.83 111.414 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 38.2 mtt180 -109.87 155.22 21.96 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.611 -0.885 . . . . 3.33 108.611 168.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 92' ' ' ASP . 9.4 t -74.03 114.11 11.97 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 105.935 -1.876 . . . . 0.91 105.935 158.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.59 0.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.114 0.415 . . . . 1.6 111.408 -176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -108.92 -40.92 4.87 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 116.432 -0.349 . . . . 2.13 110.716 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 3.6 p -131.42 1.77 4.15 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 119.248 -0.981 . . . . 1.15 111.245 -170.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.92 39.22 95.24 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.309 -0.86 . . . . 1.01 113.585 171.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.667 ' HD2' ' CE1' ' A' ' 106' ' ' HIS . 85.0 mttt -80.43 131.25 35.56 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.286 -1.005 . . . . 1.97 108.286 166.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.77 HD23 ' HG2' ' A' ' 79' ' ' LYS . 4.1 mm? -96.53 114.55 26.22 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.221 0.534 . . . . 0.87 110.489 -174.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 58.6 m-85 -110.44 136.46 49.55 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 121.578 0.704 . . . . 0.62 110.182 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.596 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 71.3 p -81.7 -8.21 59.68 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.699 -1.137 . . . . 0.61 110.276 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 101' ' ' GLY . 40.7 m -132.12 128.72 38.72 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.699 -1.137 . . . . 0.79 109.284 176.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.527 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 5.3 p -66.91 -25.07 66.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.805 -0.634 . . . . 0.74 110.906 -177.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.641 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -73.04 -46.28 28.86 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.903 -0.665 . . . . 0.71 112.264 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.44 ' H ' HG22 ' A' ' 99' ' ' THR . 3.9 m-20 -56.01 -39.4 71.84 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.599 -0.889 . . . . 1.4 108.599 172.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.0 tp -63.53 -52.2 62.18 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-N 113.863 -1.517 . . . . 0.54 109.502 178.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.639 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 24.2 ttpp -50.93 -45.92 60.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.265 -1.334 . . . . 2.27 111.913 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 101' ' ' GLY . 27.8 mmt180 -56.57 -42.27 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 4.34 109.251 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.693 ' O ' HG22 ' A' ' 109' ' ' VAL . 79.7 t60 -75.76 -16.94 60.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.631 -1.168 . . . . 0.96 111.949 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.639 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.7 mm100 -82.26 -27.13 32.6 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 106.733 -1.58 . . . . 1.53 106.733 -178.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -80.41 -25.85 38.82 Favored 'General case' 0 C--O 1.2 -1.536 0 CA-C-N 112.914 -1.948 . . . . 1.18 110.614 -177.377 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.6 m -70.15 -22.92 24.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 C-N-CA 119.525 -0.87 . . . . 1.27 109.558 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.471 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 81.1 m-70 -88.56 -4.48 58.58 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.862 -0.608 . . . . 1.32 111.272 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -155.73 38.15 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.963 0.887 . . . . 1.93 109.2 -177.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.919 0 CA-C-O 118.639 -1.089 . . . . 2.49 111.803 -172.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.179 -0.304 . . . . 4.18 110.179 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.23 118.8 5.72 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 123.055 2.503 . . . . 2.07 111.353 173.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.813 ' HB3' HD22 ' A' ' 75' ' ' LEU . 3.8 m-30 -116.53 116.11 27.02 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 114.103 -1.408 . . . . 2.4 109.252 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.701 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -124.74 142.35 13.87 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 119.237 -1.458 . . . . 1.34 114.646 -171.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -63.45 123.47 18.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.798 -1.201 . . . . 1.27 110.017 177.094 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.51 -12.06 60.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.827 0.346 . . . . 3.94 111.739 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -35.34 11.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.123 0.786 . . . . 1.76 113.123 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 4.2 p -119.94 -3.05 10.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.917 0.865 . . . . 1.32 108.995 -174.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.12 37.77 95.03 Favored Glycine 0 N--CA 1.436 -1.358 0 CA-C-N 113.785 -1.552 . . . . 1.31 113.804 173.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -110.54 114.7 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.162 -0.31 . . . . 2.43 110.162 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.701 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -93.8 135.38 35.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.308 0.575 . . . . 1.39 111.047 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.595 ' CD2' HD22 ' A' ' 74' ' ' LEU . 37.0 m-85 -113.64 147.78 37.47 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.35 -0.841 . . . . 1.33 111.099 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -72.99 -38.38 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.624 -1.171 . . . . 3.89 111.108 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.858 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 3.9 mp -102.73 146.62 27.96 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.9 0.381 . . . . 1.92 110.208 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.66 HD12 ' CD2' ' A' ' 60' ' ' TYR . 5.1 mm -71.28 -39.2 72.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.929 -0.578 . . . . 1.59 109.652 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 15.4 m -70.9 -26.78 63.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.36 0.6 . . . . 1.77 110.066 176.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.858 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -61.14 -54.96 37.91 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.699 -0.682 . . . . 1.15 110.784 173.566 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 60' ' ' TYR . 7.6 tp -68.94 -27.77 66.04 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.415 -0.811 . . . . 1.08 109.765 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.6 t-20 -64.83 -37.78 88.78 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.12 -0.945 . . . . 1.34 109.646 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.506 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.7 mm? -81.51 -19.94 41.14 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.601 -0.727 . . . . 0.64 110.571 177.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.456 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 66.0 t60 -71.03 -41.4 70.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.759 -0.655 . . . . 0.72 109.711 171.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.561 ' HD3' ' CD2' ' A' ' 96' ' ' LEU . 13.7 ptpt -80.37 -24.17 39.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.171 -0.468 . . . . 2.06 109.93 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.89 ' HE2' ' H ' ' A' ' 86' ' ' ALA . 30.2 ttmt -69.14 -37.12 78.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.85 109.664 168.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 81' ' ' ARG . 3.6 tmt_? -58.26 -49.95 75.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 3.88 111.738 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.456 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 89.4 m-70 -63.41 -36.7 84.61 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.073 0.397 . . . . 1.03 112.073 -175.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.3 m -88.56 -3.86 58.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.816 0.341 . . . . 1.45 110.955 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 91.11 -51.13 3.12 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 110.719 -0.952 . . . . 0.67 110.719 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.703 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 3.6 pt-20 -146.15 164.94 30.62 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 107.37 -1.345 . . . . 2.0 107.37 173.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.89 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -118.63 89.69 3.18 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.212 0.529 . . . . 0.78 110.131 -178.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.554 ' HD3' ' OE1' ' A' ' 85' ' ' GLU . 10.1 mmm180 -87.51 -81.13 0.24 Allowed 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.363 -0.835 . . . . 2.3 110.996 -176.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.676 ' HB3' HD22 ' A' ' 103' ' ' LEU . 19.5 m-85 -93.83 153.6 18.19 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.122 -0.944 . . . . 0.83 110.006 176.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 32.5 ptt180 -123.91 152.4 42.46 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 108.572 -0.899 . . . . 3.33 108.572 167.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.488 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 3.0 t -63.43 114.6 3.97 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.386 -1.339 . . . . 0.91 107.386 171.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.95 6.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.123 0.416 . . . . 1.6 112.123 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.44 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 5.4 p30 -120.37 -32.99 3.98 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.625 -0.43 . . . . 2.13 111.97 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.931 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 7.8 p -129.06 -8.72 4.85 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 119.404 -0.918 . . . . 1.15 111.031 -174.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.47 35.7 40.97 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.423 -0.808 . . . . 1.01 113.52 169.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.931 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 73.7 mttt -89.34 130.72 35.67 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.774 -0.454 . . . . 1.97 109.774 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.561 ' CD2' ' HD3' ' A' ' 79' ' ' LYS . 3.5 mm? -91.51 120.61 32.47 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.145 0.497 . . . . 0.87 111.442 -172.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 82.0 m-85 -118.8 133.08 56.09 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.283 -0.871 . . . . 0.62 109.389 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.551 HG22 ' HG2' ' A' ' 85' ' ' GLU . 27.8 p -78.76 -9.5 59.46 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.547 -0.751 . . . . 0.61 109.978 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 102' ' ' ASN . 48.0 m -127.36 129.64 47.97 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.709 -1.132 . . . . 0.79 109.604 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 52.2 p -68.06 -27.63 66.68 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.132 -0.485 . . . . 0.74 111.214 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 104' ' ' LYS . . . -75.51 -39.15 36.07 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.757 -0.735 . . . . 0.71 112.514 174.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.555 ' H ' HG22 ' A' ' 99' ' ' THR . 95.0 m-20 -60.17 -41.26 92.48 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 108.29 -1.004 . . . . 1.4 108.29 172.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.3 tp -63.15 -55.89 21.39 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 113.859 -1.519 . . . . 0.54 109.508 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.567 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 27.7 ttmt -43.97 -53.15 6.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.322 -1.308 . . . . 2.27 112.728 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.6 ' HA ' HD22 ' A' ' 108' ' ' LEU . 38.3 ptt180 -62.17 -31.8 72.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.168 -0.613 . . . . 4.34 110.533 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.682 ' O ' HG22 ' A' ' 109' ' ' VAL . 73.3 t60 -76.92 -17.82 58.68 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.164 0.507 . . . . 0.96 110.917 174.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.567 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.4 mm100 -84.3 -25.47 29.27 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.089 -1.448 . . . . 1.53 107.089 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.6 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -81.7 -15.28 54.94 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 113.177 -1.828 . . . . 1.18 110.93 -177.107 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 106' ' ' HIS . 7.0 m -83.99 -20.45 8.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 C-N-CA 119.661 -0.816 . . . . 1.27 109.372 176.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.45 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 43.9 m-70 -83.69 -15.15 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.693 . . . . 1.32 110.523 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 t -160.54 55.14 0.32 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.415 0.626 . . . . 1.93 109.547 -176.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.504 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.707 -1.052 . . . . 2.49 112.487 -176.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 20.1 ptpt . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.01 -0.367 . . . . 4.18 110.01 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 18.6 Cg_exo -66.9 117.6 4.9 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.754 2.303 . . . . 2.07 112.651 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.446 ' HB3' HD22 ' A' ' 75' ' ' LEU . 22.1 m-85 -106.29 102.03 11.46 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 114.176 -1.374 . . . . 2.4 107.987 170.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.733 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -113.53 150.74 18.49 Favored Glycine 0 N--CA 1.431 -1.695 0 C-N-CA 119.439 -1.362 . . . . 1.34 114.15 -168.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 2.5 t -73.23 99.9 2.97 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 113.718 -1.241 . . . . 1.27 108.067 171.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.47 -5.43 23.89 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.945 0.879 . . . . 3.94 109.683 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.4 tt0 -76.21 -43.86 40.38 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.194 -1.366 . . . . 1.76 110.806 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.2 p -123.84 -19.41 5.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.457 0.646 . . . . 1.32 110.037 -173.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.41 31.61 8.26 Favored Glycine 0 N--CA 1.433 -1.511 0 CA-C-N 115.196 -0.911 . . . . 1.31 114.065 170.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -111.01 121.38 45.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.795 0.298 . . . . 2.43 110.272 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.733 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -93.28 139.08 31.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.164 0.507 . . . . 1.39 111.683 -178.816 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.55 ' CD2' HD22 ' A' ' 74' ' ' LEU . 48.2 m-85 -115.97 168.32 10.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.61 -0.723 . . . . 1.33 110.546 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' C ' HD13 ' A' ' 71' ' ' LEU . 41.1 mtm180 -87.75 -41.82 13.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.506 -0.316 . . . . 3.89 110.946 -177.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.617 HD22 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -106.61 159.63 16.05 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.134 -0.227 . . . . 1.92 110.698 -176.847 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 25.0 mm -65.39 -48.07 84.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.617 -0.265 . . . . 1.59 110.402 175.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.547 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 8.5 t -65.51 -28.43 69.18 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-O 120.976 0.417 . . . . 1.77 110.513 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.617 HD12 HD22 ' A' ' 71' ' ' LEU . 1.5 mt -57.07 -57.42 12.63 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.999 0.904 . . . . 1.15 111.024 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.9 tp -69.71 -25.99 64.13 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 113.915 -1.493 . . . . 1.08 109.805 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 73' ' ' SER . 1.6 t-20 -70.62 -35.73 73.1 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.284 -1.326 . . . . 1.34 109.243 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.564 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.1 mm? -79.98 -23.78 41.37 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.607 -0.724 . . . . 0.64 110.22 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -69.26 -41.3 77.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.452 -0.794 . . . . 0.72 109.243 170.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -71.23 -39.88 71.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.307 -0.861 . . . . 2.06 108.818 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 1.002 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 28.6 ttmt -58.54 -40.87 84.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.787 -1.097 . . . . 0.85 110.182 172.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -58.07 -45.38 87.21 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.485 -0.325 . . . . 3.88 111.467 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -65.22 -35.95 82.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.389 -0.369 . . . . 1.03 111.285 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.7 m -101.05 17.32 22.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.523 -0.308 . . . . 1.45 111.526 -173.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.67 -62.87 3.49 Favored Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 111.195 -0.762 . . . . 0.67 111.195 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 1.002 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 8.3 pt-20 -154.37 134.87 13.44 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 109.089 -0.708 . . . . 2.0 109.089 174.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.436 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -80.11 90.69 5.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.025 -0.534 . . . . 0.78 110.75 -177.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.648 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.5 mmm180 -85.44 -86.33 0.14 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.673 -0.694 . . . . 2.3 111.682 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.674 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.0 m-85 -93.72 154.03 18.02 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.745 -1.116 . . . . 0.83 110.651 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.615 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.7 mtt180 -111.76 153.86 25.89 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 108.831 -0.803 . . . . 3.33 108.831 167.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.711 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 2.4 t -67.47 111.38 4.07 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 106.199 -1.778 . . . . 0.91 106.199 164.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.3 1.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.138 0.421 . . . . 1.6 112.138 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.474 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.9 p30 -114.74 -33.17 5.58 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.695 -0.229 . . . . 2.13 111.595 -177.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.879 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.5 p -130.73 -16.48 3.33 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 119.178 -1.009 . . . . 1.15 111.549 -174.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 88.42 27.1 26.02 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 116.511 -0.313 . . . . 1.01 112.856 169.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.879 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 68.3 mttt -81.66 138.64 35.26 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.209 -0.293 . . . . 1.97 110.209 175.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.674 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.6 mm? -94.31 122.71 37.14 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.386 0.612 . . . . 0.87 111.445 -173.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 82.1 m-85 -121.44 135.92 55.01 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.41 -0.814 . . . . 0.62 110.013 176.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.648 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 46.6 p -80.83 -6.42 58.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.515 -0.766 . . . . 0.61 110.608 -176.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 102' ' ' ASN . 3.6 m -138.54 129.77 27.16 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 114.871 -1.059 . . . . 0.79 109.336 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.616 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 13.7 p -66.04 -25.46 67.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 0.74 111.385 -177.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.29 -43.61 54.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.71 112.455 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.579 ' H ' HG22 ' A' ' 99' ' ' THR . 21.5 m120 -61.71 -38.91 89.62 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 108.745 -0.835 . . . . 1.4 108.745 172.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.8 tp -61.13 -49.64 76.46 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-N 114.162 -1.381 . . . . 0.54 108.919 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.551 ' O ' HD13 ' A' ' 108' ' ' LEU . 27.1 ttpp -51.63 -46.78 63.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.067 -1.424 . . . . 2.27 111.804 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 109' ' ' VAL . 40.9 mmt180 -54.2 -45.51 72.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.754 0.787 . . . . 4.34 109.924 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.711 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 43.1 t60 -74.16 -16.1 61.0 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.558 -1.201 . . . . 0.96 111.239 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 2.2 mm100 -83.25 -29.74 28.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.52 -1.289 . . . . 1.53 107.52 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.573 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -77.59 -18.15 57.13 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 113.406 -1.724 . . . . 1.18 110.787 -176.602 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.4 m -78.48 -22.62 13.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 C-N-CA 119.557 -0.857 . . . . 1.27 109.497 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.476 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 66.9 m-70 -88.31 -7.68 56.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.813 -0.63 . . . . 1.32 110.685 176.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.4 p -152.29 44.86 0.72 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.543 0.687 . . . . 1.93 109.761 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.744 -1.031 . . . . 2.49 111.968 -174.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 68.3 mttm . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.736 -0.468 . . . . 4.18 109.736 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 17.2 Cg_exo -66.65 116.75 4.26 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.284 1.989 . . . . 2.07 111.353 177.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.47 ' CE2' HG12 ' A' ' 72' ' ' ILE . 41.0 m-85 -121.35 85.61 2.43 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.906 -1.146 . . . . 2.4 107.906 174.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 1.032 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -105.24 144.95 15.84 Favored Glycine 0 N--CA 1.427 -1.957 0 C-N-CA 120.097 -1.049 . . . . 1.34 113.031 -170.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.548 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -71.72 99.15 2.07 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 108.202 -1.036 . . . . 1.27 108.202 173.501 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -66.17 -3.75 6.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.205 0.526 . . . . 3.94 111.648 -176.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.03 -39.73 15.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.689 -0.687 . . . . 1.76 111.629 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.548 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -119.72 -6.28 10.15 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.879 0.847 . . . . 1.32 109.268 -172.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.39 25.94 67.01 Favored Glycine 0 N--CA 1.429 -1.804 0 CA-C-N 114.283 -1.326 . . . . 1.31 113.579 171.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HZ3' ' HB3' ' A' ' 67' ' ' LYS . 8.6 mtpm? -104.42 109.67 21.63 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.694 -0.484 . . . . 2.43 109.694 175.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 1.032 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -89.95 142.61 27.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.943 0.401 . . . . 1.39 110.327 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 41.4 m-85 -120.7 152.53 38.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.412 0.625 . . . . 1.33 111.251 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 7.5 ttp180 -72.99 -39.93 65.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.628 -1.169 . . . . 3.89 111.022 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.721 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 5.3 mp -106.14 152.55 23.29 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.965 -0.561 . . . . 1.92 111.386 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.0 mm -66.67 -41.07 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.805 -0.634 . . . . 1.59 109.445 172.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.562 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 13.5 p -68.57 -29.06 67.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.401 0.619 . . . . 1.77 110.833 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.721 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.7 mt -62.34 -54.57 38.59 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 121.596 0.712 . . . . 1.15 111.323 174.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.0 tp -69.52 -25.21 63.92 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.819 -1.082 . . . . 1.08 109.344 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -63.11 -43.86 97.25 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.275 -1.329 . . . . 1.34 109.585 177.408 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 3.8 mm? -77.95 -22.07 50.08 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.491 -0.777 . . . . 0.64 110.568 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 81' ' ' ARG . 61.5 t60 -70.77 -37.82 73.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.006 -0.739 . . . . 0.72 109.006 170.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.469 ' HE3' HD23 ' A' ' 96' ' ' LEU . 14.6 tppt? -69.14 -37.03 78.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.847 -0.797 . . . . 2.06 108.847 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 1.063 ' HG2' ' HA ' ' A' ' 85' ' ' GLU . 73.6 mttt -62.58 -31.42 72.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.783 -1.099 . . . . 0.85 110.776 173.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 30.0 tpt180 -62.82 -41.04 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.894 -0.593 . . . . 3.88 110.86 177.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -82.59 -51.72 7.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.55 -0.295 . . . . 1.03 111.735 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -113.07 30.8 6.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.487 0.551 . . . . 1.45 112.487 -167.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.71 -58.33 4.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.852 -0.689 . . . . 0.67 112.659 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 1.063 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 7.9 pt-20 -166.01 142.43 5.11 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.226 0.536 . . . . 2.0 110.273 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.563 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -82.12 83.4 7.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.64 -0.709 . . . . 0.78 110.75 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.558 ' HG2' ' HG3' ' A' ' 85' ' ' GLU . 26.3 mmm180 -82.55 -90.91 0.07 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.636 -0.711 . . . . 2.3 111.719 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.719 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 21.4 m-85 -88.3 146.06 25.51 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.931 -1.031 . . . . 0.83 110.326 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.667 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 37.4 mtt85 -105.47 153.62 21.46 Favored 'General case' 0 CA--C 1.492 -1.288 0 N-CA-C 108.598 -0.89 . . . . 3.33 108.598 169.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.62 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 7.6 t -71.63 108.27 4.9 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 106.064 -1.828 . . . . 0.91 106.064 164.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.98 14.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.37 0.507 . . . . 1.6 112.37 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 90' ' ' CYS . 2.1 p30 -120.24 -38.03 2.98 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.493 -0.321 . . . . 2.13 111.372 173.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.737 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 11.4 p -130.27 -8.34 4.26 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 119.629 -0.828 . . . . 1.15 111.677 -173.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.65 39.09 35.54 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.814 -0.63 . . . . 1.01 114.106 170.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.737 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 28.7 mtpt -81.99 144.83 30.61 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.472 -0.936 . . . . 1.97 108.472 169.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.719 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.9 mm? -104.52 106.01 16.34 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.445 -0.502 . . . . 0.87 110.99 -174.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 80.2 m-85 -103.26 135.73 44.35 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.557 -0.747 . . . . 0.62 109.742 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.9 p -80.22 -11.66 59.71 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.228 -0.896 . . . . 0.61 110.022 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 102' ' ' ASN . 92.7 m -121.88 128.03 51.14 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.863 -1.062 . . . . 0.79 109.44 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.594 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 13.3 p -67.22 -33.78 76.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.223 -0.444 . . . . 0.74 110.313 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -66.71 -42.95 92.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.906 -0.664 . . . . 0.71 112.303 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.51 ' H ' HG22 ' A' ' 99' ' ' THR . 5.3 m-20 -63.69 -36.09 82.72 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 108.656 -0.868 . . . . 1.4 108.656 175.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.693 HD22 ' HB3' ' A' ' 88' ' ' TYR . 11.2 tp -65.18 -51.11 63.07 Favored 'General case' 0 N--CA 1.422 -1.871 0 CA-C-N 114.01 -1.45 . . . . 0.54 109.225 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 26.6 mtpp -54.64 -42.54 71.37 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.262 -1.336 . . . . 2.27 111.688 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.547 ' O ' HG13 ' A' ' 109' ' ' VAL . 41.5 mmt180 -55.33 -45.42 76.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.889 0.376 . . . . 4.34 109.996 175.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.699 ' O ' HG22 ' A' ' 109' ' ' VAL . 77.0 t60 -72.34 -17.56 61.83 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.898 -0.592 . . . . 0.96 111.808 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.62 ' NE2' ' HA ' ' A' ' 90' ' ' CYS . 8.0 mm-40 -79.4 -29.21 41.92 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.119 -1.437 . . . . 1.53 107.119 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -78.24 -33.06 49.99 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-N 113.274 -1.785 . . . . 1.18 110.001 -177.125 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.4 m -64.44 -21.5 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 C-N-CA 120.291 -0.564 . . . . 1.27 109.691 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.441 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 34.6 m-70 -76.49 -14.85 60.01 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.846 -0.616 . . . . 1.32 112.107 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.6 p -158.18 33.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.498 0.666 . . . . 1.93 110.492 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 N--CA 1.44 -1.044 0 CA-C-O 118.709 -1.051 . . . . 2.49 112.083 -172.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.3 pttt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.195 -0.298 . . . . 4.18 110.195 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.78 123.03 12.71 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.465 2.777 . . . . 2.07 112.442 174.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.405 ' CE2' HG12 ' A' ' 72' ' ' ILE . 61.7 m-85 -102.43 101.06 11.24 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 113.728 -1.578 . . . . 2.4 108.803 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.67 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -102.92 145.59 16.36 Favored Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 119.755 -1.212 . . . . 1.34 113.212 -173.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.521 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -61.02 154.94 21.36 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.068 -1.066 . . . . 1.27 112.157 -175.403 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -74.45 -37.3 63.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.559 -1.201 . . . . 3.94 111.023 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.477 ' OE1' ' SG ' ' A' ' 62' ' ' CYS . 1.5 pm0 -100.75 -40.74 7.19 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.588 0.588 . . . . 1.76 112.588 -167.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.2 p -109.3 -14.65 14.42 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.401 1.096 . . . . 1.32 108.241 -171.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 60.55 34.19 84.83 Favored Glycine 0 N--CA 1.432 -1.591 0 CA-C-N 113.033 -1.894 . . . . 1.31 114.588 171.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' O ' ' HA2' ' A' ' 61' ' ' GLY . 96.3 mttt -86.5 128.74 34.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.235 -0.654 . . . . 2.43 109.235 173.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.67 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.06 131.1 34.79 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.926 0.87 . . . . 1.39 112.26 -176.47 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.703 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 39.5 m-85 -122.86 129.72 51.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.428 -1.26 . . . . 1.33 109.867 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -74.55 -18.07 60.64 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.289 -0.564 . . . . 3.89 112.233 -174.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.585 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -105.2 150.45 25.08 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.356 -0.538 . . . . 1.92 110.404 170.792 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.0 mm -69.49 -42.44 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 1.59 109.649 175.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.2 m -61.11 -38.98 88.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 1.77 110.525 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.703 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 3.8 mt -51.12 -57.05 9.72 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.443 -0.798 . . . . 1.15 111.824 173.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 16.3 tp -70.4 -26.17 63.57 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 114.443 -1.253 . . . . 1.08 109.848 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.544 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -72.57 -39.34 67.5 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.224 -1.353 . . . . 1.34 109.322 -178.621 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.4 mm? -80.6 -19.58 45.2 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.413 -0.812 . . . . 0.64 110.062 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -73.72 -41.22 62.85 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.348 -0.842 . . . . 0.72 109.96 172.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' ' 76' ' ' ASN . 16.8 ptpt -78.1 -29.02 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.126 -0.694 . . . . 2.06 109.126 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.937 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 29.8 ttmt -62.41 -38.08 88.28 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.162 -0.926 . . . . 0.85 109.65 169.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -63.6 -34.71 78.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.547 -0.751 . . . . 3.88 111.856 -177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -65.91 -25.24 67.06 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.8 0.296 . . . . 1.03 111.8 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m -119.06 16.68 13.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.808 0.337 . . . . 1.45 111.066 -176.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.44 -50.15 4.16 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.664 -0.779 . . . . 0.67 111.499 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.937 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -150.24 -179.93 7.59 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 108.774 -0.824 . . . . 2.0 108.774 173.312 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.774 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -133.4 98.99 4.38 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.598 -0.89 . . . . 0.78 108.598 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.572 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 9.4 mmm180 -91.44 -82.35 0.3 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.443 0.639 . . . . 2.3 111.613 -170.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.64 ' HB3' HD22 ' A' ' 103' ' ' LEU . 14.3 m-85 -91.44 159.72 15.82 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.01 -0.996 . . . . 0.83 110.174 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 27.7 ptt180 -126.75 154.02 44.76 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.991 -0.744 . . . . 3.33 108.991 168.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.478 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 5.5 t -64.03 131.89 48.95 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.12 -1.067 . . . . 0.91 108.12 173.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -75.83 5.73 5.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.934 0.397 . . . . 1.6 111.048 -174.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.466 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.7 p30 -120.56 -42.56 2.53 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.36 -0.382 . . . . 2.13 111.85 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.0 p -126.42 3.67 6.95 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.452 0.644 . . . . 1.15 110.178 -168.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.02 36.69 91.13 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 114.867 -1.061 . . . . 1.01 114.526 171.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 83.9 mttt -81.59 131.86 35.29 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.839 -0.43 . . . . 1.97 109.839 171.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.587 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -91.14 121.9 33.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.208 0.528 . . . . 0.87 110.732 -175.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.567 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 54.1 m-85 -120.0 135.17 55.02 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.399 -0.819 . . . . 0.62 109.915 176.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.569 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 79.3 p -80.12 -11.03 59.79 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.093 -0.958 . . . . 0.61 110.554 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.596 HG22 ' H ' ' A' ' 102' ' ' ASN . 8.1 m -128.89 129.01 44.97 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.914 -1.039 . . . . 0.79 109.106 177.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 5.9 p -68.05 -26.0 65.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.718 -0.673 . . . . 0.74 110.996 -175.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -72.28 -44.77 42.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.121 -0.561 . . . . 0.71 112.531 175.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.596 ' H ' HG22 ' A' ' 99' ' ' THR . 17.3 m120 -59.36 -38.3 80.08 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 108.331 -0.988 . . . . 1.4 108.331 173.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 88' ' ' TYR . 14.0 tp -63.02 -51.09 68.13 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-N 114.007 -1.451 . . . . 0.54 109.589 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.459 ' O ' HD13 ' A' ' 108' ' ' LEU . 24.2 ttmm -54.53 -46.14 73.5 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 114.23 -1.35 . . . . 2.27 111.305 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.604 ' O ' HG13 ' A' ' 109' ' ' VAL . 46.1 mtt180 -56.42 -41.86 77.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.137 0.494 . . . . 4.34 109.815 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.695 ' O ' HG22 ' A' ' 109' ' ' VAL . 72.0 t60 -72.35 -18.1 61.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.629 -0.714 . . . . 0.96 111.344 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 13.1 mm-40 -82.73 -26.74 31.68 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.657 -1.238 . . . . 1.53 107.657 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -80.55 -29.0 37.14 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 113.584 -1.643 . . . . 1.18 110.041 -178.303 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -65.29 -21.93 30.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 C-N-CA 119.861 -0.736 . . . . 1.27 109.393 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.546 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 57.3 m-70 -83.16 -1.8 53.86 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.882 -0.599 . . . . 1.32 112.201 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 t -174.37 46.59 0.01 OUTLIER 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.452 0.644 . . . . 1.93 109.428 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.477 -1.179 . . . . 2.49 113.085 -172.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttp . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 110.267 -0.272 . . . . 4.18 110.267 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.37 116.79 4.09 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.436 2.091 . . . . 2.07 112.132 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -122.09 104.43 9.49 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 114.336 -1.302 . . . . 2.4 108.422 174.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.674 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -118.59 155.63 16.0 Favored Glycine 0 N--CA 1.433 -1.54 0 C-N-CA 119.348 -1.406 . . . . 1.34 114.472 -168.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.561 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 53.3 t -76.78 140.57 40.79 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.577 -1.312 . . . . 1.27 109.999 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -90.49 -24.69 20.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.301 0.572 . . . . 3.94 109.819 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -37.8 21.04 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.615 -0.721 . . . . 1.76 111.81 -171.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.42 -22.85 8.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.746 0.784 . . . . 1.32 109.039 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.561 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 88.04 22.81 40.39 Favored Glycine 0 N--CA 1.433 -1.531 0 CA-C-N 114.493 -1.23 . . . . 1.31 113.806 169.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 67' ' ' LYS . 25.9 mtpp -91.01 123.35 34.41 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.83 -0.348 . . . . 2.43 110.462 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.674 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -92.0 135.89 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.014 0.435 . . . . 1.39 111.001 178.337 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.619 ' CD2' HD22 ' A' ' 74' ' ' LEU . 50.6 m-85 -117.01 165.0 13.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.811 -0.632 . . . . 1.33 111.012 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -85.82 -40.26 16.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.978 -0.556 . . . . 3.89 111.635 -178.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.667 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -105.01 155.39 19.0 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.849 -0.34 . . . . 1.92 110.756 -178.555 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.625 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 17.9 mm -64.56 -43.43 96.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.702 -0.481 . . . . 1.59 109.702 174.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 p -65.02 -34.61 78.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.446 . . . . 1.77 110.866 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.667 HD12 HD22 ' A' ' 71' ' ' LEU . 2.5 mt -54.74 -56.65 16.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.67 0.747 . . . . 1.15 111.755 173.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 10.8 tp -71.61 -25.16 62.05 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.67 -1.15 . . . . 1.08 109.553 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.625 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -68.99 -40.65 78.63 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.521 -1.218 . . . . 1.34 108.924 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.598 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 3.2 mm? -80.5 -19.84 44.96 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.159 -0.928 . . . . 0.64 110.254 179.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -68.11 -44.7 75.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.694 -0.684 . . . . 0.72 109.773 169.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -73.69 -34.29 64.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.313 -0.858 . . . . 2.06 108.876 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 1.073 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 29.0 ttmt -66.85 -38.93 87.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.913 -1.04 . . . . 0.85 110.293 172.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -58.72 -44.31 90.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 3.88 111.66 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -56.06 -49.83 72.67 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.932 0.345 . . . . 1.03 111.932 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -100.7 28.38 5.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.864 0.364 . . . . 1.45 111.033 -175.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.92 -58.74 4.54 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.07 -0.812 . . . . 0.67 111.07 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 1.073 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 11.1 pt-20 -163.48 141.66 7.8 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.58 0.705 . . . . 2.0 110.544 173.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.546 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -78.68 96.62 5.59 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.208 -0.905 . . . . 0.78 110.583 179.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 9.7 mmm180 -85.51 -89.71 0.11 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.42 -0.809 . . . . 2.3 111.16 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.69 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 22.3 m-85 -90.7 151.25 21.32 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.921 -1.036 . . . . 0.83 111.363 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.684 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.4 mtt180 -108.91 155.29 21.01 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.638 -0.875 . . . . 3.33 108.638 169.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.535 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 4.6 t -74.17 125.43 28.36 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 107.577 -1.268 . . . . 0.91 107.577 168.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -63.91 1.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.154 0.427 . . . . 1.6 112.154 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.476 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.1 p30 -119.73 -39.2 2.87 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 112.123 0.416 . . . . 2.13 112.123 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.528 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 12.3 p -130.22 1.24 4.66 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 119.591 -0.844 . . . . 1.15 111.125 -169.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.7 36.32 89.32 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.474 -0.785 . . . . 1.01 113.916 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.528 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 90.0 mttt -80.87 134.21 35.72 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.569 -0.53 . . . . 1.97 109.569 170.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.69 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.7 mm? -93.86 119.51 32.89 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.111 0.481 . . . . 0.87 111.094 -173.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 62.3 m-85 -119.62 138.48 53.21 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.493 -0.776 . . . . 0.62 110.432 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.515 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 81.8 p -82.3 -10.41 59.11 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.892 -1.049 . . . . 0.61 110.304 -177.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.594 HG22 ' H ' ' A' ' 102' ' ' ASN . 55.3 m -127.73 128.75 45.92 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.61 -1.177 . . . . 0.79 109.317 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 22.5 p -69.27 -27.38 65.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.314 -0.403 . . . . 0.74 110.922 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.418 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.05 -34.92 32.07 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.436 -0.888 . . . . 0.71 112.345 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.594 ' H ' HG22 ' A' ' 99' ' ' THR . 91.2 m-20 -63.11 -40.5 97.81 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 107.786 -1.19 . . . . 1.4 107.786 171.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 88' ' ' TYR . 14.9 tp -59.98 -57.79 11.32 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 113.57 -1.65 . . . . 0.54 109.266 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.785 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 18.1 ttmm -45.21 -48.08 12.61 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.409 -1.269 . . . . 2.27 112.266 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.582 ' O ' HG13 ' A' ' 109' ' ' VAL . 23.6 mmm180 -53.94 -45.4 71.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 4.34 110.442 175.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.643 ' O ' HG22 ' A' ' 109' ' ' VAL . 80.5 t60 -72.78 -17.46 61.58 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.901 -0.59 . . . . 0.96 111.58 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.785 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 4.7 mt-30 -84.52 -27.06 27.64 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 107.055 -1.461 . . . . 1.53 107.055 -176.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -74.45 -39.37 62.59 Favored 'General case' 0 CA--C 1.487 -1.467 0 CA-C-N 113.407 -1.724 . . . . 1.18 109.434 -178.372 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.0 m -62.03 -16.45 15.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-O 121.007 0.432 . . . . 1.27 110.504 -174.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.496 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 51.3 m-70 -76.96 -2.56 34.4 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.69 0.626 . . . . 1.32 112.69 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.8 m -153.04 -41.26 0.1 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.927 0.87 . . . . 1.93 110.362 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.31 -0.894 0 CA-C-N 113.743 -1.571 . . . . 2.49 112.357 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 N--CA 1.456 -0.73 0 CA-C-O 121.74 0.641 . . . . 2.07 111.679 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.409 ' CE2' HG12 ' A' ' 72' ' ' ILE . 26.5 m-85 -106.88 101.56 10.98 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.135 -1.393 . . . . 2.4 109.214 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.648 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -112.41 153.7 17.28 Favored Glycine 0 N--CA 1.432 -1.627 0 C-N-CA 120.009 -1.091 . . . . 1.34 113.53 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.516 ' SG ' ' HE2' ' A' ' 79' ' ' LYS . 12.3 t -70.1 114.1 7.93 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.19 -1.005 . . . . 1.27 110.648 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.41 -18.87 31.45 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.942 0.877 . . . . 3.94 110.89 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.481 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.0 OUTLIER -87.38 -45.04 10.91 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.787 -1.097 . . . . 1.76 112.658 -171.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.2 p -124.55 -19.99 5.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.364 0.602 . . . . 1.32 110.665 -171.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.98 10.12 Favored Glycine 0 N--CA 1.435 -1.432 0 CA-C-N 115.23 -0.895 . . . . 1.31 114.415 168.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.39 124.57 48.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.137 0.469 . . . . 2.43 110.202 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.648 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.38 140.25 29.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.96 0.409 . . . . 1.39 111.472 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.56 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 37.8 m-85 -119.16 161.11 20.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.493 -0.776 . . . . 1.33 111.306 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.472 ' C ' HD13 ' A' ' 71' ' ' LEU . 33.0 mmt180 -74.01 -43.03 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.95 -0.568 . . . . 3.89 111.537 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.649 HD22 HD12 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -112.41 163.22 14.69 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.013 -0.275 . . . . 1.92 111.181 -177.15 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.522 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.4 mm -68.05 -43.67 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 1.59 109.681 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -63.45 -35.56 80.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.889 -0.596 . . . . 1.77 110.514 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.649 HD12 HD22 ' A' ' 71' ' ' LEU . 2.2 mt -55.66 -55.69 29.12 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.584 0.707 . . . . 1.15 111.464 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 13.5 tp -69.55 -25.19 63.89 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.61 -1.177 . . . . 1.08 109.845 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -71.09 -36.99 72.43 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.55 -1.204 . . . . 1.34 109.223 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -79.39 -25.51 42.11 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.432 -0.804 . . . . 0.64 110.32 177.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.422 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 36.3 t60 -66.78 -42.13 86.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.63 -0.713 . . . . 0.72 109.283 170.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.516 ' HE2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -71.54 -35.86 70.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.801 -0.814 . . . . 2.06 108.801 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.654 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.9 ttmt -62.36 -40.9 97.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.973 -1.012 . . . . 0.85 110.436 172.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -58.84 -39.02 80.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 3.88 111.991 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.422 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 59.9 m-70 -67.61 -30.51 70.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.422 -0.354 . . . . 1.03 111.919 -176.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 p -107.24 11.79 28.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.769 0.319 . . . . 1.45 111.213 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.21 -60.73 4.81 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.084 -0.806 . . . . 0.67 111.084 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.654 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.418 -2.062 0 N-CA-C 107.783 -1.191 . . . . 2.0 107.783 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 . . . . . 0 N--CA 1.447 -0.608 0 CA-C-O 121.656 0.741 . . . . 2.3 111.45 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 25.9 m-85 -87.17 156.51 19.66 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.792 -1.094 . . . . 0.83 109.605 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.567 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 16.1 ptt180 -126.07 153.6 44.24 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 108.611 -0.885 . . . . 3.33 108.611 166.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.582 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 2.1 t -64.77 120.58 12.74 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.123 -1.436 . . . . 0.91 107.123 170.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -70.23 7.45 1.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.099 0.476 . . . . 1.6 111.578 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.2 p30 -120.72 -42.93 2.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.814 -0.63 . . . . 2.13 111.697 -177.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.856 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 14.0 p -120.37 -13.09 8.89 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 119.906 -0.718 . . . . 1.15 110.036 -172.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.97 33.97 31.7 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.769 -1.105 . . . . 1.01 113.203 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.856 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 38.2 mttp -84.71 131.98 34.51 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 110.161 -0.311 . . . . 1.97 110.161 174.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.609 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -91.46 126.62 36.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.291 0.567 . . . . 0.87 110.683 -175.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.474 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 72.0 m-85 -124.42 141.83 51.77 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.294 -0.867 . . . . 0.62 109.906 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.4 p -86.95 -13.14 45.51 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.315 -0.857 . . . . 0.61 109.807 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.564 HG22 ' H ' ' A' ' 102' ' ' ASN . 94.5 m -118.86 127.64 53.69 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 114.609 -1.178 . . . . 0.79 109.009 177.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 24.7 p -72.37 -23.55 61.14 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.267 -0.424 . . . . 0.74 109.982 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.514 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -74.42 -44.0 29.0 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.952 -0.567 . . . . 0.71 112.51 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.564 ' H ' HG22 ' A' ' 99' ' ' THR . 87.4 m-20 -59.3 -38.17 79.55 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.14 -1.059 . . . . 1.4 108.14 173.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.4 tp -64.92 -52.48 56.19 Favored 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 113.705 -1.589 . . . . 0.54 109.209 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.68 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 23.3 ttmm -51.19 -50.13 59.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.433 -1.258 . . . . 2.27 112.404 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.533 ' O ' HG13 ' A' ' 109' ' ' VAL . 43.4 mtm180 -57.56 -37.37 73.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.478 0.656 . . . . 4.34 109.862 178.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.663 ' O ' HG22 ' A' ' 109' ' ' VAL . 65.3 t60 -76.53 -16.45 59.62 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.945 -1.025 . . . . 0.96 111.319 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.68 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.1 mm-40 -85.88 -27.56 24.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.932 -1.507 . . . . 1.53 106.932 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -81.61 -13.33 58.1 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 113.43 -1.714 . . . . 1.18 110.897 -175.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 106' ' ' HIS . 10.2 m -81.61 -18.52 11.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 C-N-CA 119.758 -0.777 . . . . 1.27 109.223 174.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.458 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 67.6 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.678 -0.692 . . . . 1.32 110.554 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo . . . . . 0 N--CA 1.442 -1.514 0 CA-C-O 121.515 0.548 . . . . 2.07 111.031 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -112.25 94.8 5.11 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.754 -1.112 . . . . 2.4 108.278 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.791 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -103.82 145.31 16.1 Favored Glycine 0 N--CA 1.429 -1.823 0 C-N-CA 119.791 -1.195 . . . . 1.34 113.641 -172.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 6.0 t -61.85 118.37 7.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.47 -1.365 . . . . 1.27 109.84 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -68.71 -14.16 62.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.4 0.619 . . . . 3.94 111.078 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.17 -38.2 10.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.216 -0.902 . . . . 1.76 113.077 -172.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 30.3 p -119.04 -23.17 6.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.672 0.749 . . . . 1.32 109.812 -175.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.23 17.13 47.89 Favored Glycine 0 N--CA 1.432 -1.583 0 CA-C-N 114.724 -1.126 . . . . 1.31 114.15 173.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -88.69 122.5 32.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.069 0.434 . . . . 2.43 110.729 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.791 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.27 138.93 31.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 1.39 111.83 -178.693 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.534 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 43.7 m-85 -123.51 160.81 26.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.763 -0.653 . . . . 1.33 110.889 174.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' C ' HD13 ' A' ' 71' ' ' LEU . 7.3 mpt_? -79.74 -41.41 26.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.437 -0.347 . . . . 3.89 111.69 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -107.39 156.51 18.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.742 0.306 . . . . 1.92 110.643 -177.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.59 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 22.0 mm -67.21 -42.22 87.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.551 -0.537 . . . . 1.59 109.551 174.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 p -61.28 -37.58 83.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.22 0.533 . . . . 1.77 110.98 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 71' ' ' LEU . 2.2 mt -54.1 -57.2 12.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.81 0.814 . . . . 1.15 111.673 173.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.5 tp -71.96 -22.29 61.47 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 114.491 -1.232 . . . . 1.08 109.653 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.2 t-20 -69.45 -38.37 77.75 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.527 -1.215 . . . . 1.34 109.29 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -79.44 -23.22 43.27 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.494 -0.775 . . . . 0.64 110.078 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.4 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 52.2 t60 -70.41 -40.96 73.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.248 -0.887 . . . . 0.72 109.333 171.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.74 -41.55 71.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.251 -0.886 . . . . 2.06 108.848 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.902 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.9 ttmt -58.86 -36.44 74.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.989 -1.005 . . . . 0.85 110.431 173.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 17.1 tpt180 -64.17 -36.82 85.3 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.643 -0.423 . . . . 3.88 111.681 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.4 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 91.1 m-70 -74.39 -45.11 48.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.397 . . . . 1.03 111.311 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 m -84.44 6.48 23.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.459 -0.337 . . . . 1.45 111.495 -176.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.72 -55.51 4.85 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.649 -0.981 . . . . 0.67 110.649 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.902 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.4 pm0 . . . . . 0 N--CA 1.436 -1.158 0 N-CA-C 109.194 -0.669 . . . . 2.0 109.194 171.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.761 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 17.5 mmm180 . . . . . 0 N--CA 1.446 -0.653 0 CA-C-O 121.731 0.777 . . . . 2.3 111.369 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.697 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 23.9 m-85 -95.58 155.44 16.74 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.621 -1.172 . . . . 0.83 109.635 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.688 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 35.2 ptt180 -125.58 152.41 45.13 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.811 -0.811 . . . . 3.33 108.811 167.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.41 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 9.3 t -63.48 130.07 42.87 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.507 -0.923 . . . . 0.91 108.507 175.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -62.79 -9.3 8.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.482 0.488 . . . . 1.6 111.84 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -120.37 -35.24 3.46 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 112.671 0.619 . . . . 2.13 112.671 -172.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.571 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 9.3 p -128.03 1.2 5.9 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 119.33 -0.948 . . . . 1.15 110.717 -171.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.17 39.21 96.92 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 114.952 -1.022 . . . . 1.01 114.678 170.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.688 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 25.7 mtpp -83.89 132.56 34.78 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 117.16 0.48 . . . . 1.97 109.727 171.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.697 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.3 mm? -90.22 111.3 22.43 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.272 0.558 . . . . 0.87 110.901 -177.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.54 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 82.6 m-85 -109.16 140.42 42.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.644 -0.707 . . . . 0.62 109.263 175.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.462 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 52.3 p -87.94 -6.4 58.05 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.552 0.691 . . . . 0.61 110.17 -178.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.572 HG22 ' H ' ' A' ' 102' ' ' ASN . 38.7 m -127.7 128.75 45.96 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.875 -1.057 . . . . 0.79 109.219 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.652 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 26.6 p -69.48 -29.4 67.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.01 -0.541 . . . . 0.74 111.269 -175.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.46 ' HA2' ' HB2' ' A' ' 104' ' ' LYS . . . -77.7 -33.87 41.04 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.296 -0.954 . . . . 0.71 112.357 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.572 ' H ' HG22 ' A' ' 99' ' ' THR . 4.1 m-20 -65.62 -39.3 91.35 Favored 'General case' 0 CA--C 1.492 -1.257 0 N-CA-C 107.767 -1.198 . . . . 1.4 107.767 172.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.649 HD22 ' HB3' ' A' ' 88' ' ' TYR . 13.5 tp -61.06 -58.45 8.37 Favored 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 113.719 -1.582 . . . . 0.54 109.209 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.709 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 3.8 mptp? -40.1 -54.36 2.29 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 124.748 1.28 . . . . 2.27 111.798 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.635 ' O ' HG13 ' A' ' 109' ' ' VAL . 23.2 mmm180 -49.21 -48.8 45.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.218 0.532 . . . . 4.34 110.41 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 109' ' ' VAL . 81.9 t60 -71.25 -17.46 62.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.495 -0.775 . . . . 0.96 112.056 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.709 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 5.6 mt-30 -84.67 -30.4 24.88 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.789 -1.559 . . . . 1.53 106.789 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -73.42 -37.07 66.02 Favored 'General case' 0 C--O 1.201 -1.479 0 CA-C-N 113.085 -1.87 . . . . 1.18 109.406 -176.61 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 105' ' ' ARG . 4.8 m -62.59 -17.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-O 121.151 0.5 . . . . 1.27 110.393 -175.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.48 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 48.0 m-70 . . . . . 0 CA--C 1.538 0.513 0 N-CA-C 112.858 0.688 . . . . 1.32 112.858 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.455 -0.754 0 CA-C-O 122.112 0.797 . . . . 2.07 112.738 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -101.37 97.97 8.39 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 113.651 -1.613 . . . . 2.4 108.854 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.669 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -110.14 148.25 17.41 Favored Glycine 0 N--CA 1.431 -1.652 0 C-N-CA 119.835 -1.174 . . . . 1.34 113.735 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.507 ' SG ' ' HE2' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -70.91 125.35 26.62 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 113.916 -1.142 . . . . 1.27 110.212 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.846 0.831 . . . . 3.94 110.712 -177.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.426 ' HG3' ' SG ' ' A' ' 62' ' ' CYS . 0.3 OUTLIER -85.28 -40.4 16.63 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.769 -1.105 . . . . 1.76 112.503 -170.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.71 -0.26 8.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.811 0.815 . . . . 1.32 109.734 -169.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.14 37.4 92.81 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.201 -1.363 . . . . 1.31 114.745 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -109.6 127.85 54.81 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.603 -0.517 . . . . 2.43 109.603 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.669 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -95.92 139.6 31.88 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.394 0.616 . . . . 1.39 111.692 -176.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 74' ' ' LEU . 49.7 m-85 -121.04 148.11 44.59 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.197 -0.911 . . . . 1.33 110.753 174.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -75.26 -33.95 61.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.069 -0.969 . . . . 3.89 111.195 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 4.7 mp -107.77 146.36 32.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 1.92 111.063 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.543 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.1 mm -62.5 -45.33 99.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.61 -0.723 . . . . 1.59 110.68 175.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 32.5 t -69.77 -24.32 63.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.957 0.408 . . . . 1.77 110.263 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.1 mt -64.86 -52.91 54.06 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 121.311 0.576 . . . . 1.15 110.903 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 11.4 tp -68.86 -29.4 67.7 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.041 -0.982 . . . . 1.08 109.587 177.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -65.51 -39.97 92.46 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.582 -1.19 . . . . 1.34 109.689 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 1.4 mm? -77.67 -26.17 50.1 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.302 -0.863 . . . . 0.64 110.415 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.491 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 47.9 t60 -65.25 -41.6 94.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.525 -0.546 . . . . 0.72 109.525 171.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.784 ' HG2' HD23 ' A' ' 96' ' ' LEU . 2.2 tppp? -69.77 -32.99 71.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.703 -0.851 . . . . 2.06 108.703 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.6 ttmt -69.91 -33.56 72.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.18 -0.918 . . . . 0.85 110.634 175.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 36.3 mmt180 -60.16 -39.29 85.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.717 0.294 . . . . 3.88 111.636 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.491 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 71.0 m-70 -59.09 -39.38 82.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.403 0.52 . . . . 1.03 112.403 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m -108.39 14.74 24.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.691 0.282 . . . . 1.45 111.527 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.15 -59.79 4.52 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.951 -0.86 . . . . 0.67 110.951 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.602 ' HG3' ' NE ' ' A' ' 87' ' ' ARG . 2.6 pm0 . . . . . 0 N--CA 1.434 -1.24 0 N-CA-C 108.011 -1.107 . . . . 2.0 108.011 170.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.602 ' NE ' ' HG3' ' A' ' 85' ' ' GLU . 21.0 mmt180 . . . . . 0 N--CA 1.442 -0.871 0 CA-C-O 121.292 0.568 . . . . 2.3 111.037 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.749 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.9 m-85 -91.29 153.5 19.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.098 -0.955 . . . . 0.83 111.47 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.593 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 47.7 mtt180 -108.12 153.8 22.62 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.899 -0.778 . . . . 3.33 108.899 169.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.498 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 8.2 t -70.18 117.75 12.13 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.115 -1.809 . . . . 0.91 106.115 163.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.04 -5.25 0.61 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.309 0.485 . . . . 1.6 112.309 -174.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.429 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.4 p30 -115.02 -36.08 4.54 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.599 -0.273 . . . . 2.13 111.622 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.818 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 3.8 p -130.95 3.76 4.43 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 119.481 -0.888 . . . . 1.15 111.21 -171.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.06 39.16 97.23 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.37 -0.832 . . . . 1.01 114.293 168.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.818 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 10.5 mtpp -87.27 135.02 33.47 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.79 -0.819 . . . . 1.97 108.79 172.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.784 HD23 ' HG2' ' A' ' 79' ' ' LYS . 3.9 mm? -94.4 105.24 17.21 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.303 0.573 . . . . 0.87 111.504 -172.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.479 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 93.9 m-85 -100.72 142.88 31.57 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.486 -0.779 . . . . 0.62 110.017 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.526 HG22 ' HG2' ' A' ' 85' ' ' GLU . 71.1 p -93.05 7.09 45.59 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 121.947 0.879 . . . . 0.61 110.379 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.543 HG22 ' H ' ' A' ' 102' ' ' ASN . 22.5 m -144.24 129.26 18.54 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.386 -1.279 . . . . 0.79 109.215 175.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.0 p -67.09 -26.89 66.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.812 -0.631 . . . . 0.74 110.695 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.642 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -75.47 -44.01 22.83 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.906 -0.588 . . . . 0.71 112.374 175.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.543 ' H ' HG22 ' A' ' 99' ' ' THR . 12.3 m120 -57.03 -38.96 73.91 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.183 -1.043 . . . . 1.4 108.183 173.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.6 tp -63.63 -56.57 14.79 Favored 'General case' 0 N--CA 1.417 -2.102 0 CA-C-N 113.48 -1.691 . . . . 0.54 109.727 178.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.834 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 40.2 ttpt -47.66 -49.63 26.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.546 -1.206 . . . . 2.27 112.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 49.0 mtt180 -59.69 -35.9 75.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.053 0.454 . . . . 4.34 110.076 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.722 ' O ' HG22 ' A' ' 109' ' ' VAL . 76.3 t60 -76.81 -17.56 58.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.213 -0.903 . . . . 0.96 111.201 176.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.834 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mt-30 -84.06 -27.29 28.4 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.412 -1.699 . . . . 1.53 106.412 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -83.49 -9.44 58.98 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 112.895 -1.957 . . . . 1.18 111.242 -176.164 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 106' ' ' HIS . 11.0 m -83.48 -17.61 10.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 C-N-CA 119.596 -0.841 . . . . 1.27 108.807 173.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 70.3 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.055 -0.975 . . . . 1.32 110.284 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo . . . . . 0 N--CA 1.452 -0.959 0 CA-C-O 121.694 0.622 . . . . 2.07 110.585 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.49 ' HB3' HD22 ' A' ' 75' ' ' LEU . 44.9 m-85 -96.15 100.21 11.88 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.541 -1.209 . . . . 2.4 109.521 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.739 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -113.5 144.56 18.18 Favored Glycine 0 N--CA 1.436 -1.347 0 C-N-CA 119.895 -1.145 . . . . 1.34 114.147 -171.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.478 ' SG ' ' HG3' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -61.32 130.92 48.5 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.913 -1.143 . . . . 1.27 110.832 178.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -75.63 -16.55 60.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.323 0.582 . . . . 3.94 111.075 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.478 ' HG3' ' SG ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -91.64 -37.54 13.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.754 0.65 . . . . 1.76 112.754 -174.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.5 p -126.86 2.08 6.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.592 0.711 . . . . 1.32 109.69 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.26 38.1 92.79 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.308 -1.314 . . . . 1.31 114.592 171.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -110.15 117.01 32.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.14 -0.319 . . . . 2.43 110.14 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.739 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -86.23 141.96 28.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.504 0.668 . . . . 1.39 111.905 -178.035 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.592 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 47.5 m-85 -120.54 142.7 49.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.969 -1.014 . . . . 1.33 110.054 173.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -69.91 -17.92 63.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.617 -0.72 . . . . 3.89 112.138 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 24.7 mt -127.84 163.44 24.4 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.523 -0.471 . . . . 1.92 111.398 -177.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.4 mm -74.17 -51.91 22.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.569 -0.742 . . . . 1.59 110.491 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 17.7 m -63.5 -26.5 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.415 0.626 . . . . 1.77 110.349 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 4.5 mt -58.48 -58.7 7.36 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.148 -0.933 . . . . 1.15 111.781 172.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 6.1 tp -71.85 -22.27 61.55 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 114.8 -1.091 . . . . 1.08 109.486 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -68.08 -39.76 82.82 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.455 -1.248 . . . . 1.34 108.752 177.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.3 mm? -80.5 -22.32 41.07 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.205 -0.907 . . . . 0.64 110.374 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 75' ' ' LEU . 59.7 t60 -69.12 -40.9 78.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.257 -0.646 . . . . 0.72 109.257 170.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.684 ' HG2' HD23 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -72.25 -38.29 68.92 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.384 -0.969 . . . . 2.06 108.384 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.837 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 34.4 ttmt -62.98 -29.84 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.767 -1.106 . . . . 0.85 110.19 173.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -66.1 -43.41 87.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.458 -0.337 . . . . 3.88 110.964 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -74.03 -50.32 20.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.701 0.286 . . . . 1.03 111.469 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 m -86.66 11.09 13.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.249 0.463 . . . . 1.45 112.249 -172.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.73 -55.16 5.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.648 -0.787 . . . . 0.67 111.196 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.837 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.7 pm0 . . . . . 0 N--CA 1.431 -1.375 0 N-CA-C 108.828 -0.804 . . . . 2.0 108.828 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.747 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 16.0 mmm180 . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.399 0.619 . . . . 2.3 110.895 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.676 ' HB3' HD22 ' A' ' 103' ' ' LEU . 25.4 m-85 -94.69 152.89 18.11 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.421 -0.808 . . . . 0.83 110.318 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 11.2 ptt180 -124.26 153.9 40.99 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.466 -0.938 . . . . 3.33 108.466 167.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.47 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 25.3 t -65.56 118.11 9.01 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.443 -1.253 . . . . 0.91 108.605 172.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.57 -0.95 0.31 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.419 0.449 . . . . 1.6 111.793 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.47 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -113.8 -42.2 3.46 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 120.914 -0.314 . . . . 2.13 111.397 -175.61 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.761 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 8.9 p -130.82 -2.54 4.14 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 119.353 -0.939 . . . . 1.15 111.218 -171.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.86 39.31 55.16 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.346 -0.843 . . . . 1.01 114.228 168.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.761 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 57.6 mttt -92.07 131.54 37.26 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.355 -0.609 . . . . 1.97 109.355 174.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.684 HD23 ' HG2' ' A' ' 79' ' ' LYS . 3.9 mm? -90.85 121.17 32.48 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.183 0.516 . . . . 0.87 110.987 -174.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 86.3 m-85 -116.31 136.14 53.26 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.495 -0.775 . . . . 0.62 109.896 177.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.594 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 64.1 p -85.33 -3.37 58.81 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.223 -0.899 . . . . 0.61 110.04 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 101' ' ' GLY . 24.9 m -133.34 128.54 35.89 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 114.514 -1.221 . . . . 0.79 109.042 175.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 26.1 p -67.52 -23.24 65.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.274 -0.421 . . . . 0.74 110.9 -177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.468 ' H ' HG22 ' A' ' 99' ' ' THR . . . -73.08 -46.07 29.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.925 -0.655 . . . . 0.71 112.28 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.436 ' H ' HG22 ' A' ' 99' ' ' THR . 12.2 m120 -56.03 -38.24 70.29 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.541 -0.911 . . . . 1.4 108.541 172.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 88' ' ' TYR . 19.5 tp -66.14 -52.58 47.06 Favored 'General case' 0 N--CA 1.419 -2.019 0 CA-C-N 113.803 -1.544 . . . . 0.54 109.46 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.685 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 39.2 ttmt -51.88 -49.33 63.2 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.302 -1.317 . . . . 2.27 112.431 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.626 ' HA ' HD22 ' A' ' 108' ' ' LEU . 35.8 ptt180 -66.98 -26.95 67.06 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.724 -0.79 . . . . 4.34 110.004 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.707 ' O ' HG22 ' A' ' 109' ' ' VAL . 72.5 t60 -78.98 -16.8 56.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 0.96 110.481 174.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.685 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -82.92 -27.14 30.83 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.938 -1.875 . . . . 1.53 105.938 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -83.06 -17.56 42.79 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 112.552 -2.113 . . . . 1.18 111.212 -176.315 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.707 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -76.03 -19.49 15.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 C-N-CA 119.7 -0.8 . . . . 1.27 109.22 175.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.472 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 89.7 m-70 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.447 -0.797 . . . . 1.32 110.725 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo . . . . . 0 N--CA 1.449 -1.126 0 N-CA-C 109.956 -0.824 . . . . 2.07 109.956 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.449 ' HB3' HD22 ' A' ' 75' ' ' LEU . 41.5 m-85 -88.88 93.74 9.7 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.307 -0.861 . . . . 2.4 109.649 -175.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.677 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -108.21 145.24 16.29 Favored Glycine 0 N--CA 1.433 -1.552 0 C-N-CA 120.135 -1.031 . . . . 1.34 113.724 -172.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 22.0 t -60.74 122.34 14.54 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.808 -1.196 . . . . 1.27 110.338 177.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.12 -18.3 64.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.397 0.618 . . . . 3.94 110.397 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.554 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -82.15 -47.38 12.59 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.133 -0.939 . . . . 1.76 112.024 -173.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.2 p -121.74 -21.88 5.99 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.375 0.607 . . . . 1.32 110.27 -169.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.27 39.38 5.7 Favored Glycine 0 N--CA 1.437 -1.26 0 CA-C-N 115.189 -0.914 . . . . 1.31 113.781 168.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 61' ' ' GLY . 64.6 mttm -110.43 120.27 41.87 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.814 -0.439 . . . . 2.43 109.814 176.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.677 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -87.86 135.15 33.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.211 0.529 . . . . 1.39 111.004 -177.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.656 ' CD2' HD22 ' A' ' 74' ' ' LEU . 40.4 m-85 -112.99 162.67 15.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.524 -0.762 . . . . 1.33 111.517 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -79.43 -41.7 27.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.436 -0.802 . . . . 3.89 110.592 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.839 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 6.0 mp -105.22 148.53 26.85 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.21 -0.45 . . . . 1.92 111.111 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.93 -45.54 98.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.563 -0.744 . . . . 1.59 109.274 171.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -38.61 87.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 1.77 110.39 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.839 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -57.67 -49.88 75.03 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.455 0.645 . . . . 1.15 111.392 177.435 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 5.1 tp -70.13 -30.55 67.76 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 114.935 -1.029 . . . . 1.08 110.15 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -71.23 -34.22 70.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.221 -0.9 . . . . 1.34 109.557 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -80.66 -22.5 40.4 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.299 -0.864 . . . . 0.64 110.143 178.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.473 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 20.3 t60 -67.15 -48.37 68.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.073 -0.967 . . . . 0.72 109.191 169.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -77.2 -20.24 55.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.464 -0.789 . . . . 2.06 109.804 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.944 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 18.4 ttmt -70.92 -43.61 67.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.272 -0.876 . . . . 0.85 110.102 169.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 23.7 tpt180 -65.56 -30.07 70.76 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.315 -0.402 . . . . 3.88 111.997 -173.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.473 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 56.9 m-70 -60.27 -24.01 64.59 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.787 0.327 . . . . 1.03 111.288 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 m -118.23 20.8 13.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.211 0.529 . . . . 1.45 110.401 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.43 -59.34 4.38 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.294 -0.723 . . . . 0.67 111.294 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.944 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 6.8 pt-20 . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 108.663 -0.866 . . . . 2.0 108.663 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.56 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 10.2 mmm180 . . . . . 0 N--CA 1.445 -0.708 0 CA-C-O 121.615 0.721 . . . . 2.3 111.565 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.684 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 27.3 m-85 -90.86 152.24 20.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.883 -1.053 . . . . 0.83 111.047 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.724 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 29.8 mtt180 -108.83 154.5 22.01 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.351 -0.981 . . . . 3.33 108.351 168.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.595 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 5.5 t -71.0 122.92 20.89 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 106.643 -1.614 . . . . 0.91 106.643 168.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -61.61 -3.03 0.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.996 0.369 . . . . 1.6 111.996 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.445 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.3 p30 -118.75 -36.97 3.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.402 -0.363 . . . . 2.13 111.966 -174.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.646 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 9.3 p -130.43 3.44 4.65 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 119.738 -0.785 . . . . 1.15 110.812 -171.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.65 36.69 90.53 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.221 -0.9 . . . . 1.01 114.604 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.646 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 15.6 mtpp -79.78 140.25 36.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.304 -0.628 . . . . 1.97 109.304 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.724 ' CD1' ' HG3' ' A' ' 89' ' ' ARG . 3.4 mm? -96.38 114.24 25.9 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.277 0.561 . . . . 0.87 110.548 -176.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 83.5 m-85 -112.89 135.43 53.67 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.309 -0.859 . . . . 0.62 109.893 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.56 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 44.6 p -79.45 -13.52 59.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.95 -1.023 . . . . 0.61 109.621 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 102' ' ' ASN . 53.9 m -123.87 127.92 48.73 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 114.379 -1.282 . . . . 0.79 109.289 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 17.8 p -68.35 -25.71 65.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 0.74 111.14 -178.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.04 -41.82 26.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.994 -0.622 . . . . 0.71 112.571 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.56 ' H ' HG22 ' A' ' 99' ' ' THR . 4.4 m-20 -59.04 -36.43 74.98 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 108.248 -1.019 . . . . 1.4 108.248 172.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 88' ' ' TYR . 15.4 tp -65.77 -57.58 7.66 Favored 'General case' 0 N--CA 1.415 -2.204 0 CA-C-N 113.933 -1.485 . . . . 0.54 109.204 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.799 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 41.6 ttmt -47.86 -50.54 26.01 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.448 -1.251 . . . . 2.27 112.499 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.601 ' HA ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -62.3 -29.6 70.55 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.441 -0.503 . . . . 4.34 110.341 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.74 ' O ' HG22 ' A' ' 109' ' ' VAL . 78.8 t60 -79.22 -19.1 51.59 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.96 110.759 176.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.799 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 8.0 mt-30 -81.38 -25.97 35.85 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 106.527 -1.657 . . . . 1.53 106.527 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -82.67 -15.68 51.1 Favored 'General case' 0 C--O 1.206 -1.205 0 CA-C-N 112.872 -1.967 . . . . 1.18 111.533 -176.236 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.9 m -78.67 -16.65 13.59 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.76 -0.83 . . . . 1.27 108.76 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.505 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 71.7 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.226 -0.897 . . . . 1.32 110.696 175.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 CA-C-O 121.874 0.697 . . . . 2.07 111.626 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CE2' HG12 ' A' ' 72' ' ' ILE . 52.7 m-85 -124.11 105.51 9.6 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.255 -1.339 . . . . 2.4 109.728 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.805 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -106.93 162.14 13.62 Favored Glycine 0 N--CA 1.435 -1.41 0 C-N-CA 119.745 -1.216 . . . . 1.34 113.86 -171.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.569 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 45.2 t -80.13 141.65 35.55 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 113.989 -1.105 . . . . 1.27 110.347 177.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -85.19 -26.77 26.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.416 0.627 . . . . 3.94 110.088 177.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -88.17 -35.0 17.63 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.521 -0.763 . . . . 1.76 112.156 -167.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.449 ' SG ' ' NE2' ' A' ' 78' ' ' HIS . 18.1 p -114.73 -27.06 7.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.897 0.856 . . . . 1.32 108.925 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.569 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 86.31 35.8 10.43 Favored Glycine 0 N--CA 1.434 -1.47 0 CA-C-N 114.173 -1.376 . . . . 1.31 114.059 169.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -110.82 136.91 49.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.99 0.395 . . . . 2.43 110.075 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.805 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -90.37 137.4 32.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.063 0.458 . . . . 1.39 111.43 -177.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.592 ' CD2' HD22 ' A' ' 74' ' ' LEU . 19.2 m-85 -109.62 168.82 9.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.386 0.612 . . . . 1.33 111.759 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -83.2 -40.49 19.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.632 -1.167 . . . . 3.89 111.443 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 8.0 mp -115.81 159.39 21.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 1.92 111.697 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 10.0 mm -63.84 -50.58 76.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.514 -0.766 . . . . 1.59 109.965 172.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 20.0 t -66.77 -27.02 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 1.77 110.302 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.93 -53.09 59.45 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.357 0.598 . . . . 1.15 110.649 174.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HG ' ' HE3' ' A' ' 79' ' ' LYS . 13.2 tp -70.0 -27.18 64.49 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.088 -0.96 . . . . 1.08 109.865 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -68.44 -38.53 81.23 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.776 -1.102 . . . . 1.34 109.709 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.9 mm? -80.23 -20.41 44.65 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.513 0.673 . . . . 0.64 109.897 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.592 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 49.1 t60 -68.74 -45.21 72.06 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.085 -0.962 . . . . 0.72 109.723 171.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.698 ' HD3' HD23 ' A' ' 96' ' ' LEU . 16.5 ptpt -80.73 -20.44 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.062 -0.517 . . . . 2.06 109.833 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.604 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 32.8 ttmt -71.67 -38.67 70.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.633 -0.712 . . . . 0.85 109.367 168.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -59.25 -43.07 92.46 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.09 -0.505 . . . . 3.88 112.055 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.592 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 95.2 m-70 -67.51 -29.12 68.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.736 0.303 . . . . 1.03 111.505 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 m -105.48 9.25 33.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.752 0.31 . . . . 1.45 111.42 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.62 -59.12 4.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.582 -0.818 . . . . 0.67 111.291 -175.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.901 ' HG3' ' HE ' ' A' ' 87' ' ' ARG . 1.1 pm0 . . . . . 0 N--CA 1.438 -1.062 0 N-CA-C 108.857 -0.794 . . . . 2.0 108.857 172.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.901 ' HE ' ' HG3' ' A' ' 85' ' ' GLU . 20.5 mmt180 . . . . . 0 N--CA 1.446 -0.63 0 CA-C-O 121.468 0.651 . . . . 2.3 111.495 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.717 ' HB3' HD22 ' A' ' 103' ' ' LEU . 9.9 m-85 -93.52 150.78 20.17 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.741 -1.118 . . . . 0.83 109.816 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 13.2 ptt-85 -122.96 153.82 39.22 Favored 'General case' 0 CA--C 1.494 -1.202 0 CA-C-O 121.766 0.793 . . . . 3.33 109.011 167.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.562 ' C ' ' H ' ' A' ' 92' ' ' ASP . 12.6 t -68.28 109.43 3.6 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.911 -1.514 . . . . 0.91 106.911 166.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.6 13.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.56 0.695 . . . . 1.6 110.484 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.562 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -106.9 -47.77 3.64 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.807 -1.088 . . . . 2.13 109.743 178.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.743 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 13.7 p -130.54 -5.85 4.18 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.989 -0.684 . . . . 1.15 111.034 -173.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.76 40.39 26.5 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.328 -0.851 . . . . 1.01 113.964 169.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.743 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 60.3 mttt -93.12 129.32 39.15 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.192 -0.67 . . . . 1.97 109.192 173.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.698 HD23 ' HD3' ' A' ' 79' ' ' LYS . 4.1 mm? -94.1 114.95 27.2 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.087 0.47 . . . . 0.87 111.025 -173.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -108.14 141.24 40.17 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.468 -0.787 . . . . 0.62 109.897 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.475 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 65.8 p -94.08 13.23 23.73 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 122.134 0.968 . . . . 0.61 109.837 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 102' ' ' ASN . 33.7 m -149.35 128.62 12.88 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 113.979 -1.464 . . . . 0.79 108.678 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.3 p -66.55 -28.13 68.29 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.211 -0.449 . . . . 0.74 110.769 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.51 -42.71 72.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.877 -0.678 . . . . 0.71 112.434 174.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 4.6 m-20 -59.58 -38.23 80.63 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.463 -0.94 . . . . 1.4 108.463 173.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 88' ' ' TYR . 30.8 tp -65.39 -54.78 23.71 Favored 'General case' 0 N--CA 1.418 -2.066 0 CA-C-N 113.894 -1.503 . . . . 0.54 109.345 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.631 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 83.7 mttt -48.42 -51.33 27.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.51 -1.223 . . . . 2.27 112.589 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.578 ' O ' HG13 ' A' ' 109' ' ' VAL . 8.0 ppt_? -62.37 -29.4 70.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.107 -0.637 . . . . 4.34 110.203 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.692 ' O ' HG22 ' A' ' 109' ' ' VAL . 78.0 t60 -80.68 -17.82 49.92 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.253 0.549 . . . . 0.96 111.112 175.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.631 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -82.57 -24.54 33.92 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.802 -1.555 . . . . 1.53 106.802 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -83.71 -27.46 28.97 Favored 'General case' 0 C--O 1.202 -1.402 0 CA-C-N 113.215 -1.812 . . . . 1.18 110.665 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.5 m -66.29 -21.24 28.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 C-N-CA 119.729 -0.788 . . . . 1.27 109.34 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.45 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 89.4 m-70 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.548 -0.751 . . . . 1.32 111.875 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 CA-C-O 121.724 0.635 . . . . 2.07 111.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -129.48 97.12 4.46 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 114.383 -1.281 . . . . 2.4 108.941 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 1.047 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -101.98 150.98 18.38 Favored Glycine 0 N--CA 1.426 -1.984 0 C-N-CA 120.015 -1.088 . . . . 1.34 113.285 -171.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 64' ' ' GLU . 1.4 t -76.88 98.84 5.0 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.409 -0.96 . . . . 1.27 108.409 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.18 -5.83 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.126 0.965 . . . . 3.94 109.839 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 62' ' ' CYS . 1.5 tt0 -82.77 -38.87 22.58 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.007 -1.451 . . . . 1.76 111.725 -177.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 p -129.04 -14.17 4.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.153 0.501 . . . . 1.32 111.086 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.28 26.59 17.97 Favored Glycine 0 N--CA 1.434 -1.458 0 CA-C-N 115.573 -0.739 . . . . 1.31 114.198 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -111.97 119.34 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.545 -0.385 . . . . 2.43 110.852 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 1.047 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -87.48 138.44 31.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 1.39 110.88 178.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.583 ' CD2' HD22 ' A' ' 74' ' ' LEU . 34.0 m-85 -113.3 174.71 5.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.0 -0.545 . . . . 1.33 111.442 178.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.48 ' C ' HD13 ' A' ' 71' ' ' LEU . 22.3 mmm180 -96.08 -37.63 10.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.733 -0.667 . . . . 3.89 111.088 -172.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.672 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -112.08 161.3 16.64 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.255 -0.278 . . . . 1.92 110.389 178.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.3 mm -66.02 -47.9 83.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.851 -0.426 . . . . 1.59 109.851 174.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 t -61.38 -35.63 78.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 1.77 110.417 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.672 HD12 HD22 ' A' ' 71' ' ' LEU . 1.2 mt -54.32 -55.5 27.76 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.578 0.704 . . . . 1.15 111.593 174.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 17.9 tp -68.7 -30.61 69.3 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.549 -1.205 . . . . 1.08 109.656 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -70.15 -43.45 70.86 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.141 -1.39 . . . . 1.34 109.343 -176.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.788 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.4 mm? -80.99 -20.94 40.77 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 115.18 -0.918 . . . . 0.64 110.339 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -64.92 -43.19 93.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.924 -0.769 . . . . 0.72 108.924 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.872 ' HD3' HD23 ' A' ' 96' ' ' LEU . 14.0 ttmm -66.93 -31.55 72.21 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.369 -0.832 . . . . 2.06 109.26 178.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 1.008 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 13.5 mptt -62.38 -47.07 85.76 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.579 -0.737 . . . . 0.85 110.78 169.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.788 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 30.0 mmm180 -54.79 -26.95 38.02 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.12 0.415 . . . . 3.88 112.12 -176.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -64.9 -45.21 86.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.18 -0.464 . . . . 1.03 112.072 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 p -130.14 30.5 4.78 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.199 0.444 . . . . 1.45 112.199 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.1 -57.56 4.61 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.193 -0.763 . . . . 0.67 111.193 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 1.008 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.2 pm0 . . . . . 0 N--CA 1.437 -1.112 0 N-CA-C 109.248 -0.649 . . . . 2.0 109.248 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.676 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 23.1 mmm180 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.308 0.575 . . . . 2.3 111.696 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.653 ' HB3' HD22 ' A' ' 103' ' ' LEU . 10.0 m-85 -88.16 154.61 20.31 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.101 -0.954 . . . . 0.83 109.984 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.559 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 19.5 ptt180 -124.25 150.33 45.45 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 119.884 -0.726 . . . . 3.33 110.073 170.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.425 ' HB3' ' H ' ' A' ' 95' ' ' LYS . 19.3 t -60.58 123.39 17.24 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.182 -1.372 . . . . 0.91 108.124 171.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.55 6.17 2.0 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.025 0.44 . . . . 1.6 111.129 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.417 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -116.08 -43.34 2.98 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.092 -0.504 . . . . 2.13 111.173 -178.189 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.5 p -130.19 1.09 4.67 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 119.611 -0.836 . . . . 1.15 110.468 -171.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.6 36.06 75.63 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.169 -0.923 . . . . 1.01 113.403 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 9.4 mmtp -81.49 125.5 30.54 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 123.017 0.527 . . . . 1.97 110.262 174.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.872 HD23 ' HD3' ' A' ' 79' ' ' LYS . 3.7 mm? -89.31 126.53 35.56 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.279 0.561 . . . . 0.87 111.21 -175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.526 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 90.2 m-85 -124.22 141.67 51.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.399 -0.819 . . . . 0.62 110.239 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.574 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 81.4 p -88.68 4.06 48.53 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.001 0.905 . . . . 0.61 110.023 -178.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 102' ' ' ASN . 50.9 m -143.83 128.85 18.57 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.31 -1.314 . . . . 0.79 109.158 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.558 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 9.1 p -67.27 -27.48 67.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 0.74 111.133 -176.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -73.99 -41.85 39.14 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.783 -0.722 . . . . 0.71 112.164 175.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.51 ' H ' HG22 ' A' ' 99' ' ' THR . 11.4 m120 -59.2 -38.13 79.14 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 108.308 -0.997 . . . . 1.4 108.308 173.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 88' ' ' TYR . 14.2 tp -65.02 -51.74 59.92 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 113.475 -1.693 . . . . 0.54 109.4 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.429 ' O ' HD13 ' A' ' 108' ' ' LEU . 21.1 ttmm -50.2 -48.43 54.25 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.358 -1.292 . . . . 2.27 111.533 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.602 ' O ' HG13 ' A' ' 109' ' ' VAL . 10.4 mmm180 -56.58 -44.28 80.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.411 . . . . 4.34 109.919 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 109' ' ' VAL . 70.6 t60 -69.16 -18.76 63.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.812 -0.631 . . . . 0.96 111.29 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 12.5 mm-40 -81.76 -29.0 33.01 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 107.452 -1.314 . . . . 1.53 107.452 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -82.36 -18.45 42.06 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 113.488 -1.687 . . . . 1.18 110.85 -175.413 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.9 m -77.29 -19.56 14.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 C-N-CA 119.94 -0.704 . . . . 1.27 109.254 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.561 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 84.4 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.621 -0.718 . . . . 1.32 111.234 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo . . . . . 0 N--CA 1.455 -0.785 0 CA-C-O 121.806 0.669 . . . . 2.07 111.513 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 75' ' ' LEU . 43.5 m-85 -120.61 99.65 6.67 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 114.316 -1.311 . . . . 2.4 108.588 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.761 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -114.37 144.21 18.24 Favored Glycine 0 N--CA 1.432 -1.567 0 C-N-CA 119.505 -1.331 . . . . 1.34 114.283 -171.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 3.2 t -66.93 106.88 2.04 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.585 -1.307 . . . . 1.27 109.939 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.64 -6.94 8.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.49 0.662 . . . . 3.94 110.76 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.8 tt0 -84.62 -42.9 14.93 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.008 -0.996 . . . . 1.76 111.487 -176.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 p -127.9 -18.39 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.083 0.468 . . . . 1.32 110.732 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.05 28.51 13.39 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 115.803 -0.635 . . . . 1.31 114.334 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -104.92 124.59 49.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.08 0.44 . . . . 2.43 109.821 173.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.761 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 1.0 OUTLIER -97.51 143.03 28.63 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.538 0.685 . . . . 1.39 110.962 178.564 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.605 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 58.0 m-85 -123.0 147.35 46.74 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.723 -1.126 . . . . 1.33 110.332 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.54 ' HG3' HD22 ' A' ' 71' ' ' LEU . 24.2 ptt180 -76.21 -32.12 58.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.923 -0.581 . . . . 3.89 111.721 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -104.17 153.33 21.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 120.667 -0.413 . . . . 1.92 110.805 177.402 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 14.5 mm -64.89 -49.22 80.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.227 -0.442 . . . . 1.59 110.148 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 m -61.2 -27.66 68.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 1.77 111.132 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 2.2 mt -60.81 -56.59 19.34 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.686 0.755 . . . . 1.15 111.521 174.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.0 tp -70.94 -24.73 62.49 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 114.459 -1.246 . . . . 1.08 109.517 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -69.08 -40.0 78.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.304 -1.316 . . . . 1.34 109.264 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.566 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -80.91 -19.89 43.34 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.641 -0.708 . . . . 0.64 110.654 178.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -66.94 -46.48 74.61 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.23 -0.895 . . . . 0.72 108.891 171.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 79' ' ' LYS . 15.3 ttmm -70.74 -38.65 73.54 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.409 -0.814 . . . . 2.06 109.608 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.804 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 27.0 ttmt -59.31 -37.99 79.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.633 -0.712 . . . . 0.85 110.351 173.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -66.21 -29.58 69.87 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.088 0.403 . . . . 3.88 112.088 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -67.53 -50.53 58.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.147 -0.346 . . . . 1.03 111.241 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m -92.75 15.17 15.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.019 0.438 . . . . 1.45 111.347 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.87 -47.48 3.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.849 -0.691 . . . . 0.67 112.017 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.804 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.1 pt-20 . . . . . 0 N--CA 1.436 -1.147 0 N-CA-C 108.905 -0.776 . . . . 2.0 108.905 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.513 ' HG2' ' HG3' ' A' ' 85' ' ' GLU . 28.7 mmt180 . . . . . 0 N--CA 1.444 -0.75 0 CA-C-O 121.477 0.656 . . . . 2.3 111.507 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.748 ' HB3' HD22 ' A' ' 103' ' ' LEU . 33.0 m-85 -86.22 149.96 24.72 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.778 -1.101 . . . . 0.83 109.664 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.623 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 39.5 ptt180 -125.77 148.47 49.09 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 120.113 -0.635 . . . . 3.33 109.643 169.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.633 ' HA ' ' OE1' ' A' ' 107' ' ' GLN . 46.9 t -55.61 120.8 7.81 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.588 -1.187 . . . . 0.91 108.392 173.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.51 6.34 0.64 Allowed 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.616 0.572 . . . . 1.6 111.32 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -120.97 -40.81 2.59 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.282 -0.417 . . . . 2.13 111.979 -178.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.3 p -131.35 -1.94 3.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 119.463 -0.895 . . . . 1.15 111.464 -171.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.39 38.25 39.2 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.746 -0.661 . . . . 1.01 113.755 171.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.63 ' HB3' ' CE1' ' A' ' 97' ' ' PHE . 5.5 mmtm -82.7 125.94 31.8 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 123.362 0.665 . . . . 1.97 110.293 172.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.619 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.7 mm? -91.71 125.82 36.57 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.948 0.404 . . . . 0.87 111.127 -175.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 95' ' ' LYS . 75.3 m-85 -126.03 146.99 49.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.433 -0.803 . . . . 0.62 110.278 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -96.06 10.19 38.34 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.705 0.764 . . . . 0.61 110.118 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.532 HG22 ' H ' ' A' ' 102' ' ' ASN . 37.4 m -146.68 128.85 15.66 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.744 -1.116 . . . . 0.79 108.718 177.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.47 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 19.6 p -68.62 -28.61 67.06 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.334 0.396 . . . . 0.74 111.304 -175.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.11 -35.66 37.78 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.464 -0.874 . . . . 0.71 112.683 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.532 ' H ' HG22 ' A' ' 99' ' ' THR . 96.4 m-20 -65.9 -37.26 85.63 Favored 'General case' 0 CA--C 1.49 -1.358 0 N-CA-C 107.885 -1.154 . . . . 1.4 107.885 173.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' A' ' 88' ' ' TYR . 12.4 tp -62.29 -52.27 64.38 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-N 113.476 -1.693 . . . . 0.54 108.899 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 38.2 ttpt -52.19 -44.53 64.76 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 114.097 -1.41 . . . . 2.27 111.539 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.576 ' O ' HG13 ' A' ' 109' ' ' VAL . 3.3 mmp_? -51.87 -47.04 64.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.004 0.43 . . . . 4.34 109.945 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.67 ' O ' HG22 ' A' ' 109' ' ' VAL . 74.2 t60 -71.87 -17.82 62.1 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.417 -0.811 . . . . 0.96 111.994 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.633 ' OE1' ' HA ' ' A' ' 90' ' ' CYS . 2.3 mm100 -84.57 -27.6 27.17 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.531 -1.285 . . . . 1.53 107.531 -178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -75.61 -36.26 60.32 Favored 'General case' 0 CA--C 1.484 -1.573 0 CA-C-N 113.37 -1.741 . . . . 1.18 109.949 -178.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.0 m -60.93 -23.9 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-O 121.011 0.434 . . . . 1.27 109.862 -175.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.476 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 75.4 m-70 . . . . . 0 CA--C 1.536 0.425 0 CA-C-N 115.682 -0.69 . . . . 1.32 112.301 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 N--CA 1.455 -0.786 0 CA-C-O 121.684 0.619 . . . . 2.07 111.508 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.694 ' HB3' HD22 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -125.03 170.2 11.39 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.124 -1.398 . . . . 2.4 107.735 177.392 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.615 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -157.84 152.76 23.99 Favored Glycine 0 N--CA 1.436 -1.353 0 C-N-CA 119.503 -1.332 . . . . 1.34 112.592 175.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.4 t -64.77 112.99 3.49 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.187 -0.507 . . . . 1.27 110.255 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.73 -14.16 19.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.677 0.751 . . . . 3.94 111.298 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -48.71 6.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.327 -0.851 . . . . 1.76 112.225 -175.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.427 ' SG ' ' HD3' ' A' ' 67' ' ' LYS . 26.6 p -116.29 -20.06 9.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.424 0.63 . . . . 1.32 109.639 -167.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.57 19.35 41.44 Favored Glycine 0 N--CA 1.437 -1.274 0 CA-C-N 114.987 -1.006 . . . . 1.31 114.448 166.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.427 ' HD3' ' SG ' ' A' ' 65' ' ' CYS . 4.0 mptp? -93.44 128.84 39.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.864 -0.421 . . . . 2.43 109.864 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.615 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -92.22 146.07 24.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.174 0.511 . . . . 1.39 111.676 -178.619 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 74' ' ' LEU . 43.7 m-85 -123.22 150.42 43.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.441 -0.8 . . . . 1.33 111.694 178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -73.11 -40.3 65.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.503 -1.226 . . . . 3.89 110.86 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.932 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 5.6 mp -105.19 148.05 27.34 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.096 -0.502 . . . . 1.92 110.668 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.645 HD12 ' CD2' ' A' ' 60' ' ' TYR . 12.3 mm -69.76 -41.35 79.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.59 -0.732 . . . . 1.59 109.372 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 19.3 m -67.81 -28.74 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.931 -0.577 . . . . 1.77 110.38 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.932 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.68 -49.68 74.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-O 121.386 0.612 . . . . 1.15 110.86 176.215 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 60' ' ' TYR . 12.6 tp -70.27 -30.46 67.49 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.137 -0.938 . . . . 1.08 109.879 176.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -65.42 -38.58 90.35 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.134 -0.939 . . . . 1.34 109.344 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.604 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -77.68 -21.03 52.68 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.041 -0.981 . . . . 0.64 110.386 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -76.36 -36.15 58.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.717 -0.674 . . . . 0.72 109.64 172.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 79' ' ' LYS . 2.7 tppp? -70.64 -36.82 73.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.245 -1.02 . . . . 2.06 108.245 177.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 1.033 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.4 ttmt -61.76 -45.32 94.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.526 -1.215 . . . . 0.85 110.467 171.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -57.91 -41.43 82.65 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.254 -0.43 . . . . 3.88 112.071 -176.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -71.82 -31.25 66.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.58 0.228 . . . . 1.03 111.56 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.1 m -101.37 13.37 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.899 0.38 . . . . 1.45 111.063 -174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.26 -58.2 5.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.67 111.32 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 1.033 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 7.6 pt-20 . . . . . 0 N--CA 1.442 -0.831 0 N-CA-C 109.035 -0.728 . . . . 2.0 109.035 175.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.51 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.9 mmm180 . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 121.932 0.872 . . . . 2.3 111.121 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.63 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.1 m-85 -92.35 157.04 16.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.397 -1.274 . . . . 0.83 109.941 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.61 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 19.1 ptt180 -127.04 148.91 50.11 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 108.942 -0.762 . . . . 3.33 108.942 167.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.612 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 1.8 t -61.62 122.23 14.77 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.559 -1.2 . . . . 0.91 107.936 172.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.69 10.98 0.93 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.973 0.416 . . . . 1.6 111.018 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.426 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.8 p30 -120.18 -38.54 2.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.53 . . . . 2.13 111.471 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 p -130.48 2.34 4.57 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 120.042 -0.663 . . . . 1.15 110.331 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.57 32.73 84.3 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.147 -0.933 . . . . 1.01 114.296 173.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 41.7 mttm -81.61 134.7 35.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.968 0.384 . . . . 1.97 110.714 173.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.63 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -93.11 125.8 37.88 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.118 0.485 . . . . 0.87 110.815 -174.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.562 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 74.8 m-85 -125.59 141.41 52.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.288 -0.869 . . . . 0.62 109.93 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.51 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 73.1 p -83.85 -12.75 55.11 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.536 -0.756 . . . . 0.61 110.136 -177.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 102' ' ' ASN . 43.0 m -125.23 129.5 50.19 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.784 -1.098 . . . . 0.79 109.617 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.457 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 19.1 p -68.13 -27.12 66.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.084 -0.507 . . . . 0.74 111.24 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.406 ' H ' HG22 ' A' ' 99' ' ' THR . . . -78.68 -38.69 23.41 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.908 -0.663 . . . . 0.71 112.732 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.569 ' H ' HG22 ' A' ' 99' ' ' THR . 11.1 m120 -60.63 -40.38 91.72 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 107.736 -1.209 . . . . 1.4 107.736 172.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 88' ' ' TYR . 12.9 tp -60.79 -59.45 5.36 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 113.515 -1.675 . . . . 0.54 109.099 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.632 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -40.07 -54.2 2.3 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.028 1.331 . . . . 2.27 112.717 176.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.614 ' O ' HG13 ' A' ' 109' ' ' VAL . 48.3 mtt180 -49.73 -50.39 44.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.543 . . . . 4.34 110.637 175.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.612 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 68.3 t60 -66.69 -17.83 65.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.187 -0.915 . . . . 0.96 111.607 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.632 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 9.4 mt-30 -85.53 -30.8 23.12 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.501 -1.296 . . . . 1.53 107.501 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -76.68 -27.9 55.72 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-N 113.158 -1.837 . . . . 1.18 110.083 -176.393 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 105' ' ' ARG . 5.0 m -69.41 -17.27 21.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 C-N-CA 119.587 -0.845 . . . . 1.27 109.908 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.575 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 71.6 m-70 . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 115.623 -0.717 . . . . 1.32 111.265 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 CA-C-O 121.872 0.697 . . . . 2.07 111.309 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' HD22 ' A' ' 75' ' ' LEU . 26.1 m-85 -119.69 103.57 9.5 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.561 -1.2 . . . . 2.4 109.224 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.787 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -112.59 145.76 18.15 Favored Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 119.361 -1.4 . . . . 1.34 113.945 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.553 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 45.7 t -61.01 137.51 58.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.666 -1.267 . . . . 1.27 111.496 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.41 -30.9 62.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.329 -0.851 . . . . 3.94 110.51 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -91.75 -34.98 14.39 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.601 -0.727 . . . . 1.76 112.897 -166.006 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.458 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 23.1 p -115.0 -29.64 6.62 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.854 -0.795 . . . . 1.32 108.854 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 91.51 18.56 44.72 Favored Glycine 0 N--CA 1.433 -1.526 0 CA-C-N 114.363 -1.29 . . . . 1.31 113.642 172.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -88.58 131.0 35.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.782 -0.451 . . . . 2.43 109.782 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.787 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -95.07 138.72 32.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.28 0.562 . . . . 1.39 112.214 -174.728 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.518 ' CD2' HD22 ' A' ' 74' ' ' LEU . 38.4 m-85 -114.89 -178.87 3.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.182 -0.917 . . . . 1.33 110.418 175.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -102.7 -40.47 6.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.141 -0.481 . . . . 3.89 110.969 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 3.6 mp -101.03 151.0 22.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.219 -0.446 . . . . 1.92 110.729 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.559 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 18.5 mm -64.94 -46.9 90.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.601 -0.518 . . . . 1.59 109.601 174.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.431 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 14.6 m -62.55 -34.38 76.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.294 -0.412 . . . . 1.77 110.641 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.9 mt -56.21 -54.78 41.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.972 0.891 . . . . 1.15 111.546 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 60' ' ' TYR . 8.5 tp -72.08 -24.41 61.5 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.157 -1.383 . . . . 1.08 110.002 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -72.03 -37.13 69.81 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.577 -1.192 . . . . 1.34 109.36 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.524 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -80.21 -21.93 42.37 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.347 -0.842 . . . . 0.64 109.904 177.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 41.2 t60 -67.92 -42.53 80.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.25 -0.886 . . . . 0.72 109.188 170.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.83 ' HD2' HD23 ' A' ' 96' ' ' LEU . 36.1 ttmt -69.97 -38.26 76.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.247 -0.888 . . . . 2.06 108.993 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.944 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 24.9 ttmt -62.55 -36.3 82.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.202 -0.908 . . . . 0.85 110.797 172.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -65.97 -34.63 78.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.816 0.302 . . . . 3.88 111.816 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.573 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 83.3 m-70 -72.64 -47.47 47.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.738 0.304 . . . . 1.03 111.125 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.404 ' HB2' HG23 ' A' ' 98' ' ' THR . 63.1 p -73.82 -18.06 61.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.092 0.472 . . . . 1.45 110.61 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.89 -48.02 0.99 Allowed Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 109.862 -1.295 . . . . 0.67 109.862 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.944 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 9.2 pt-20 . . . . . 0 N--CA 1.445 -0.683 0 N-CA-C 109.008 -0.738 . . . . 2.0 109.008 172.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 46.8 mmm-85 . . . . . 0 N--CA 1.437 -1.097 0 CA-C-O 121.637 0.732 . . . . 2.3 111.519 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.645 ' HB3' HD22 ' A' ' 103' ' ' LEU . 18.8 m-85 -86.93 154.98 20.4 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.277 -1.329 . . . . 0.83 109.837 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 21.8 ptt180 -126.58 154.17 44.28 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.623 0.725 . . . . 3.33 109.52 169.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.428 ' HB3' ' H ' ' A' ' 95' ' ' LYS . 43.7 t -66.92 113.22 4.78 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 114.622 -1.172 . . . . 0.91 108.401 169.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.52 1.41 1.2 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.155 0.502 . . . . 1.6 111.033 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 90' ' ' CYS . 12.0 t70 -104.36 -46.24 4.45 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.226 -0.443 . . . . 2.13 110.113 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.693 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 8.6 p -129.45 -2.92 4.9 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 118.911 -1.116 . . . . 1.15 111.669 -174.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.02 39.71 45.13 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.511 -0.768 . . . . 1.01 114.165 167.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.693 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 56.9 mttt -91.28 136.63 32.97 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.183 -0.673 . . . . 1.97 109.183 173.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.83 HD23 ' HD2' ' A' ' 79' ' ' LYS . 3.5 mm? -96.94 122.57 40.07 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.011 0.434 . . . . 0.87 111.221 -172.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 78.5 m-85 -118.82 137.42 53.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.578 -0.737 . . . . 0.62 110.175 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 85' ' ' GLU . 49.0 p -79.1 -4.73 51.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.733 0.778 . . . . 0.61 110.134 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.47 HG22 ' H ' ' A' ' 101' ' ' GLY . 86.0 m -135.56 129.77 33.49 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.461 -1.245 . . . . 0.79 109.465 -175.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 59.9 p -71.56 -23.54 61.77 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.167 -0.308 . . . . 0.74 110.167 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 99' ' ' THR . . . -76.24 -43.47 20.66 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.1 -0.571 . . . . 0.71 112.44 174.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.97 -37.19 81.54 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.199 -1.037 . . . . 1.4 108.199 173.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 88' ' ' TYR . 17.8 tp -64.72 -51.91 59.88 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 113.695 -1.593 . . . . 0.54 108.998 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.616 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 40.5 ttmt -49.84 -49.78 47.8 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.59 -1.186 . . . . 2.27 111.572 179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.522 ' O ' HG13 ' A' ' 109' ' ' VAL . 19.4 mmm180 -51.08 -44.2 61.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.444 0.64 . . . . 4.34 110.404 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.656 ' CE1' ' HD2' ' A' ' 95' ' ' LYS . 71.2 t60 -76.48 -15.65 59.85 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.92 -1.037 . . . . 0.96 111.411 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.616 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.4 mm-40 -85.39 -27.89 25.51 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.816 -1.55 . . . . 1.53 106.816 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.2 OUTLIER -80.45 -13.7 58.9 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-N 113.315 -1.766 . . . . 1.18 110.858 -176.47 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 106' ' ' HIS . 7.0 m -83.66 -17.62 10.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 C-N-CA 119.782 -0.767 . . . . 1.27 109.496 174.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.411 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 60.4 m-70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.434 -0.803 . . . . 1.32 110.434 176.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo . . . . . 0 N--CA 1.453 -0.891 0 CA-C-O 121.747 0.645 . . . . 2.07 110.951 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -106.12 102.24 11.67 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.117 -1.401 . . . . 2.4 108.568 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.82 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -115.5 150.28 18.7 Favored Glycine 0 N--CA 1.425 -2.04 0 C-N-CA 119.131 -1.509 . . . . 1.34 114.905 -167.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -71.94 103.7 3.28 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 113.08 -1.56 . . . . 1.27 109.637 177.608 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.48 -6.58 11.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.038 0.923 . . . . 3.94 109.999 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -38.14 13.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.533 -1.212 . . . . 1.76 112.354 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 11.9 p -127.17 -18.58 4.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.217 0.532 . . . . 1.32 110.679 -174.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.79 26.62 19.23 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-N 115.558 -0.747 . . . . 1.31 114.055 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -110.89 130.39 55.59 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.868 -0.419 . . . . 2.43 109.868 174.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.82 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -104.99 143.52 33.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.051 0.453 . . . . 1.39 111.482 -176.79 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CD2' HD22 ' A' ' 74' ' ' LEU . 31.3 m-85 -113.59 168.92 9.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.403 -0.817 . . . . 1.33 111.943 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.472 ' C ' HD13 ' A' ' 71' ' ' LEU . 25.0 ttt180 -83.94 -41.97 16.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.14 -0.936 . . . . 3.89 110.761 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.629 HD22 HD12 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -111.99 164.59 12.95 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.613 -0.267 . . . . 1.92 110.654 179.743 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 15.6 mm -71.08 -42.9 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 109.52 -0.548 . . . . 1.59 109.52 174.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -61.82 -34.94 76.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.101 -0.5 . . . . 1.77 110.506 177.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.629 HD12 HD22 ' A' ' 71' ' ' LEU . 1.7 mt -57.18 -54.68 44.08 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.694 0.759 . . . . 1.15 111.324 175.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.2 tp -72.14 -24.13 61.41 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.713 -1.13 . . . . 1.08 109.623 -178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.2 t-20 -68.01 -37.44 81.44 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.698 -1.137 . . . . 1.34 108.959 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.66 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 1.5 mm? -78.89 -29.79 44.56 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 115.308 -0.86 . . . . 0.64 110.217 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.452 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 67.2 t60 -66.58 -37.76 85.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.537 0.684 . . . . 0.72 109.358 172.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HG3' HD23 ' A' ' 96' ' ' LEU . 17.0 tppt? -73.35 -33.41 65.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.332 -0.849 . . . . 2.06 109.091 178.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.997 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.0 ttmt -67.59 -31.86 72.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.346 -0.843 . . . . 0.85 110.134 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 33.0 mmt180 -59.95 -49.32 78.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.9 0.381 . . . . 3.88 111.301 176.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.452 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 91.7 m-70 -65.59 -33.04 74.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 1.03 111.797 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.7 p -95.02 1.76 55.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.99 0.424 . . . . 1.45 111.638 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.86 -54.74 4.98 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.364 -1.094 . . . . 0.67 110.364 -172.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.997 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 11.3 pt-20 . . . . . 0 N--CA 1.44 -0.96 0 N-CA-C 108.602 -0.888 . . . . 2.0 108.602 169.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.716 ' HG3' ' HA ' ' A' ' 98' ' ' THR . 22.5 mmm-85 . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 121.295 0.569 . . . . 2.3 111.079 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.691 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 5.2 m-85 -94.7 147.37 23.39 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.339 -0.846 . . . . 0.83 110.287 178.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.757 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 14.4 mtt180 -108.8 154.39 22.14 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.869 0.842 . . . . 3.33 109.359 170.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.557 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 3.3 t -75.76 116.18 16.21 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 106.893 -1.521 . . . . 0.91 106.893 168.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.23 0.03 0.2 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.286 0.476 . . . . 1.6 112.286 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.451 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.3 p30 -113.02 -40.88 3.84 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 111.495 0.183 . . . . 2.13 111.495 -178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.619 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.2 p -130.43 2.54 4.61 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 119.873 -0.731 . . . . 1.15 110.996 -170.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.39 39.07 94.33 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.09 -0.959 . . . . 1.01 114.586 173.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.674 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 38.5 mtpt -80.11 145.78 32.22 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 109.024 -0.732 . . . . 1.97 109.024 169.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.757 ' CD1' ' HG3' ' A' ' 89' ' ' ARG . 3.9 mm? -103.3 118.56 37.04 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.438 0.637 . . . . 0.87 110.713 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.569 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 89.9 m-85 -116.63 139.87 50.04 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.152 -0.931 . . . . 0.62 109.981 177.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.716 ' HA ' ' HG3' ' A' ' 87' ' ' ARG . 71.2 p -88.76 11.38 17.88 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.872 0.844 . . . . 0.61 110.549 -175.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.57 HG22 ' H ' ' A' ' 102' ' ' ASN . 6.6 m -155.31 130.34 9.43 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 114.824 -1.08 . . . . 0.79 108.667 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.466 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 72.4 p -65.8 -25.95 67.47 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.3 -0.409 . . . . 0.74 110.732 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.62 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -71.87 -47.51 32.0 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.948 -0.644 . . . . 0.71 112.155 174.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.57 ' H ' HG22 ' A' ' 99' ' ' THR . 13.4 m120 -55.42 -40.28 71.3 Favored 'General case' 0 CA--C 1.494 -1.2 0 N-CA-C 108.419 -0.956 . . . . 1.4 108.419 173.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 88' ' ' TYR . 20.6 tp -64.72 -51.93 59.8 Favored 'General case' 0 N--CA 1.421 -1.903 0 CA-C-N 113.75 -1.568 . . . . 0.54 109.311 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.617 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 41.4 ttmt -52.46 -48.26 65.96 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.418 -1.264 . . . . 2.27 111.775 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 43.5 mtm180 -56.2 -38.93 71.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.418 0.628 . . . . 4.34 109.98 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.713 ' O ' HG22 ' A' ' 109' ' ' VAL . 79.4 t60 -76.94 -18.59 58.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.343 -0.844 . . . . 0.96 111.236 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.617 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -81.44 -27.49 34.65 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 106.552 -1.647 . . . . 1.53 106.552 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -83.14 -8.43 59.51 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 112.907 -1.951 . . . . 1.18 111.335 -175.262 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -87.06 -21.09 7.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 119.676 -0.809 . . . . 1.27 108.931 172.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.532 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 73.6 m-70 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.289 -0.869 . . . . 1.32 109.791 175.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 CA-C-O 121.804 0.668 . . . . 2.07 112.061 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.423 ' HB3' HD22 ' A' ' 75' ' ' LEU . 28.6 m-85 -93.12 97.33 10.61 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.524 -1.216 . . . . 2.4 108.319 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.685 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -117.98 143.57 17.77 Favored Glycine 0 N--CA 1.434 -1.459 0 C-N-CA 119.693 -1.241 . . . . 1.34 114.519 -169.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.531 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 3.1 t -69.8 104.05 2.35 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.451 -1.375 . . . . 1.27 109.871 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.06 0.75 5.53 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.625 0.726 . . . . 3.94 110.872 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.531 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 2.3 tt0 -81.86 -46.99 13.36 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.947 -1.024 . . . . 1.76 110.736 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.508 ' HG ' ' HG ' ' A' ' 62' ' ' CYS . 1.8 p -123.13 -16.53 6.95 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.546 0.689 . . . . 1.32 110.242 -171.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.97 29.06 12.15 Favored Glycine 0 N--CA 1.435 -1.408 0 CA-C-N 115.105 -0.952 . . . . 1.31 113.921 169.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -110.26 128.98 55.8 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.959 -0.385 . . . . 2.43 109.959 176.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.685 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -105.04 138.7 40.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.086 0.47 . . . . 1.39 111.072 -179.323 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 61.3 m-85 -115.65 158.17 23.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.786 -0.643 . . . . 1.33 111.501 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -74.34 -40.56 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.048 -0.978 . . . . 3.89 110.825 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 8.3 mp -108.79 154.99 21.28 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.846 -0.615 . . . . 1.92 111.697 -175.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 21.3 mm -66.59 -42.53 90.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.92 -1.036 . . . . 1.59 109.766 171.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 12.9 m -66.74 -32.2 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.12 0.486 . . . . 1.77 110.407 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.8 mt -59.63 -54.46 46.14 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.711 0.767 . . . . 1.15 111.249 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.9 tp -71.35 -24.08 62.03 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.482 -1.235 . . . . 1.08 109.686 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -67.63 -41.8 83.3 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.504 -1.225 . . . . 1.34 109.354 176.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.7 mm? -78.07 -19.72 53.7 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.235 -0.893 . . . . 0.64 110.286 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -68.97 -44.7 72.37 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.086 -0.709 . . . . 0.72 109.086 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HD2' HD23 ' A' ' 96' ' ' LEU . 36.4 ttmt -68.66 -40.28 80.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.902 -1.044 . . . . 2.06 108.913 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.783 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.2 ttmt -64.91 -34.83 79.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.017 -0.992 . . . . 0.85 110.768 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -62.42 -38.07 88.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.671 -0.241 . . . . 3.88 111.461 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -61.33 -39.04 89.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 1.03 112.126 -176.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p -105.16 17.6 23.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.928 0.394 . . . . 1.45 111.317 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.42 -55.6 4.97 Favored Glycine 0 CA--C 1.507 -0.423 0 N-CA-C 111.402 -0.679 . . . . 0.67 111.402 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 1.068 ' HG3' ' HE ' ' A' ' 87' ' ' ARG . 1.3 pm0 . . . . . 0 N--CA 1.435 -1.187 0 N-CA-C 108.569 -0.9 . . . . 2.0 108.569 172.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 1.068 ' HE ' ' HG3' ' A' ' 85' ' ' GLU . 16.2 mmt85 . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 121.739 0.78 . . . . 2.3 111.137 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 24.5 m-85 -88.87 156.42 18.94 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.709 -1.132 . . . . 0.83 109.659 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 23.4 ptt180 -127.0 152.55 47.07 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 108.268 -1.012 . . . . 3.33 108.268 167.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.666 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 0.5 OUTLIER -68.97 112.79 5.84 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.247 -1.39 . . . . 0.91 107.247 170.01 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.81 9.34 0.19 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.611 0.641 . . . . 1.6 111.99 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.482 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.5 p30 -117.76 -35.17 3.99 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.14 -0.482 . . . . 2.13 111.291 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.6 p -130.04 -0.44 4.69 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.585 0.707 . . . . 1.15 110.441 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.75 34.88 84.28 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 114.915 -1.039 . . . . 1.01 114.377 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 42.4 mttp -82.48 131.33 35.22 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 110.275 -0.268 . . . . 1.97 110.275 170.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.592 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.2 mm? -92.1 123.88 35.78 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.249 0.547 . . . . 0.87 110.426 -176.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.566 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 56.9 m-85 -121.44 137.07 54.87 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.473 -0.785 . . . . 0.62 110.01 176.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.456 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 73.0 p -87.38 -5.35 58.9 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.334 -0.848 . . . . 0.61 110.107 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 102' ' ' ASN . 53.8 m -126.61 128.25 46.5 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.575 -1.193 . . . . 0.79 108.516 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 51.4 p -71.83 -24.65 61.74 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.52 -0.309 . . . . 0.74 110.522 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.499 ' HA2' ' HB3' ' A' ' 104' ' ' LYS . . . -75.42 -38.87 37.31 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.68 -0.771 . . . . 0.71 112.402 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.529 ' H ' HG22 ' A' ' 99' ' ' THR . 12.1 m120 -60.82 -40.38 92.54 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 107.932 -1.136 . . . . 1.4 107.932 172.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.583 HD22 ' CB ' ' A' ' 88' ' ' TYR . 15.8 tp -63.5 -55.69 22.02 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 113.538 -1.665 . . . . 0.54 109.555 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.564 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 27.6 ttmt -47.14 -51.62 17.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.406 -1.27 . . . . 2.27 112.708 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.47 ' O ' HG13 ' A' ' 109' ' ' VAL . 49.8 mtt180 -57.0 -38.83 73.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.5 0.667 . . . . 4.34 110.007 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.666 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 56.4 t60 -75.54 -16.34 60.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.959 -1.019 . . . . 0.96 111.168 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.564 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.7 mm-40 -85.71 -27.21 25.45 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.204 -1.406 . . . . 1.53 107.204 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -82.07 -11.4 58.81 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 113.306 -1.77 . . . . 1.18 111.133 -176.117 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 106' ' ' HIS . 10.2 m -82.88 -20.99 9.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 C-N-CA 119.811 -0.756 . . . . 1.27 108.966 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.509 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 65.7 m-70 . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 115.507 -0.769 . . . . 1.32 110.331 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 CA-C-O 121.907 0.711 . . . . 2.07 112.713 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -124.96 91.03 3.35 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.488 -1.233 . . . . 2.4 107.771 171.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.957 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -109.46 147.41 16.99 Favored Glycine 0 N--CA 1.432 -1.61 0 C-N-CA 119.862 -1.161 . . . . 1.34 113.766 -169.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.65 112.31 6.05 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.961 -1.12 . . . . 1.27 109.478 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.3 -1.11 16.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.172 0.51 . . . . 3.94 111.933 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.42 -40.69 9.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.128 0.418 . . . . 1.76 112.128 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 p -121.81 -0.56 9.58 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.018 0.913 . . . . 1.32 109.226 -171.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.74 36.7 92.63 Favored Glycine 0 N--CA 1.436 -1.351 0 CA-C-N 113.903 -1.499 . . . . 1.31 113.394 173.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -110.85 109.61 19.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.81 -0.441 . . . . 2.43 109.81 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.957 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -88.49 143.73 26.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.195 0.521 . . . . 1.39 110.601 -178.482 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.596 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 34.8 m-85 -120.59 166.02 14.22 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.511 -0.768 . . . . 1.33 110.994 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.491 ' C ' HD13 ' A' ' 71' ' ' LEU . 21.6 mmm180 -80.89 -41.16 23.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.769 -0.651 . . . . 3.89 111.256 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -112.07 161.54 16.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 121.101 -0.24 . . . . 1.92 110.385 -179.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.461 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 9.2 mm -68.48 -42.5 83.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.456 -0.572 . . . . 1.59 109.456 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 77' ' ' LEU . 8.9 m -62.05 -35.73 79.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.082 0.467 . . . . 1.77 110.653 177.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 71' ' ' LEU . 1.6 mt -56.1 -55.48 32.46 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.671 0.748 . . . . 1.15 111.35 174.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.3 tp -69.26 -25.81 64.46 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 114.547 -1.206 . . . . 1.08 109.904 -178.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -70.49 -36.71 73.99 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.837 -1.074 . . . . 1.34 109.098 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.579 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.9 mm? -80.6 -19.95 44.36 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.026 -0.988 . . . . 0.64 110.044 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -70.05 -43.09 71.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 0.72 109.466 169.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -70.4 -34.74 72.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.325 -0.852 . . . . 2.06 109.058 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.844 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 27.7 ttmt -66.07 -38.74 89.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.863 -1.062 . . . . 0.85 110.059 171.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -59.96 -40.96 90.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.145 -0.479 . . . . 3.88 111.587 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -57.32 -41.86 80.73 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.886 0.374 . . . . 1.03 111.432 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -95.72 9.36 40.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.133 0.492 . . . . 1.45 110.504 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.88 -58.24 4.92 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.61 -0.996 . . . . 0.67 110.61 -172.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.844 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.0 pm0 . . . . . 0 N--CA 1.433 -1.321 0 N-CA-C 108.671 -0.863 . . . . 2.0 108.671 171.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.666 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 30.2 mmm180 . . . . . 0 N--CA 1.447 -0.595 0 CA-C-O 121.092 0.472 . . . . 2.3 111.469 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.8 m-85 -87.38 159.67 18.64 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.288 -0.869 . . . . 0.83 110.052 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 27.2 ptt-85 -126.53 151.71 47.5 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 108.235 -1.024 . . . . 3.33 108.235 166.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.625 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 0.8 OUTLIER -65.14 115.45 5.5 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 107.63 -1.248 . . . . 0.91 107.63 172.362 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.87 12.95 0.11 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.908 0.385 . . . . 1.6 111.702 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.6 p30 -120.54 -37.54 3.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.232 -0.44 . . . . 2.13 111.579 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.455 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.9 p -131.23 4.43 4.38 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.401 0.619 . . . . 1.15 111.027 -173.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.88 34.46 82.96 Favored Glycine 0 C--N 1.333 0.386 0 CA-C-N 115.039 -0.982 . . . . 1.01 114.458 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 49.1 mttp -85.58 129.69 34.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.264 -0.273 . . . . 1.97 110.264 173.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.4 mm? -87.37 121.2 29.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.195 0.521 . . . . 0.87 110.77 -176.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.584 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 66.1 m-85 -119.18 129.54 55.04 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.446 -0.797 . . . . 0.62 110.089 176.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.666 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 39.9 p -72.44 -12.78 61.24 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.655 -1.157 . . . . 0.61 110.897 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.673 HG22 ' H ' ' A' ' 102' ' ' ASN . 8.7 m -131.34 129.42 41.38 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 114.992 -1.004 . . . . 0.79 108.917 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 22.5 p -68.26 -29.05 67.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.294 -0.412 . . . . 0.74 110.879 -176.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -70.29 -40.84 69.74 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.963 -0.637 . . . . 0.71 112.468 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.673 ' H ' HG22 ' A' ' 99' ' ' THR . 96.3 m-20 -62.98 -39.02 93.46 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.41 -0.959 . . . . 1.4 108.41 173.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 97' ' ' PHE . 12.4 tp -62.5 -52.18 64.49 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 113.935 -1.484 . . . . 0.54 109.203 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.575 ' O ' HD13 ' A' ' 108' ' ' LEU . 53.5 mttm -48.19 -49.64 32.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.556 -1.202 . . . . 2.27 112.037 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.531 ' O ' HG13 ' A' ' 109' ' ' VAL . 26.3 mmm180 -54.99 -42.97 73.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.1 0.476 . . . . 4.34 110.046 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.654 ' O ' HG22 ' A' ' 109' ' ' VAL . 65.9 t60 -73.73 -16.53 61.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.458 -0.792 . . . . 0.96 111.291 178.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.559 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 3.9 mm-40 -83.85 -30.59 26.35 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.507 -1.294 . . . . 1.53 107.507 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -78.18 -22.21 48.99 Favored 'General case' 0 C--O 1.205 -1.271 0 CA-C-N 113.436 -1.711 . . . . 1.18 110.515 -175.243 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.9 m -72.39 -21.19 20.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 C-N-CA 119.71 -0.796 . . . . 1.27 109.602 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.524 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 68.0 m-70 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.642 -0.708 . . . . 1.32 111.203 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 N--CA 1.447 -1.222 0 CA-C-O 121.887 0.703 . . . . 2.07 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.417 ' CE2' HG12 ' A' ' 72' ' ' ILE . 64.3 m-85 -125.39 96.3 4.77 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.278 -1.328 . . . . 2.4 108.848 -175.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 1.0 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -105.95 145.02 15.88 Favored Glycine 0 N--CA 1.428 -1.888 0 C-N-CA 119.915 -1.136 . . . . 1.34 113.597 -169.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.465 ' C ' ' H ' ' A' ' 64' ' ' GLU . 3.6 t -71.37 100.07 2.09 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 113.962 -1.119 . . . . 1.27 109.314 176.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -69.93 3.41 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.866 0.841 . . . . 3.94 110.444 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 62' ' ' CYS . 1.1 tt0 -90.46 -43.07 10.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.39 -1.277 . . . . 1.76 111.446 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.5 p -122.48 -19.12 6.48 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.581 0.705 . . . . 1.32 110.05 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.88 28.43 12.15 Favored Glycine 0 N--CA 1.429 -1.785 0 CA-C-N 114.974 -1.012 . . . . 1.31 113.637 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.57 123.86 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.776 -0.453 . . . . 2.43 109.776 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 1.0 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -99.82 145.82 27.3 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.378 -0.529 . . . . 1.39 110.76 -178.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 30.0 m-85 -117.81 160.1 21.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.847 -0.615 . . . . 1.33 111.822 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . 2.9 tpm_? -73.14 -38.14 66.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.057 -0.974 . . . . 3.89 110.964 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.603 ' HG ' HD12 ' A' ' 74' ' ' LEU . 17.6 mt -120.3 168.21 11.5 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.153 0.501 . . . . 1.92 111.177 -175.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.5 mm -70.09 -53.02 25.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.304 -0.862 . . . . 1.59 110.157 175.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 m -60.44 -30.23 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.236 0.541 . . . . 1.77 110.541 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.603 HD12 ' HG ' ' A' ' 71' ' ' LEU . 3.2 mt -59.59 -55.3 36.26 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.589 -0.732 . . . . 1.15 111.949 174.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.4 tp -72.27 -24.55 61.37 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.201 -0.909 . . . . 1.08 109.27 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.1 t-20 -67.37 -38.92 85.52 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.778 -1.101 . . . . 1.34 109.138 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 3.0 mm? -79.99 -19.53 47.59 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.203 -0.908 . . . . 0.64 110.417 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -72.6 -41.22 65.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.65 -0.704 . . . . 0.72 109.369 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -70.09 -40.48 74.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.731 -0.84 . . . . 2.06 108.731 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 1.066 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.9 ttmt -65.85 -22.78 66.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.503 -1.226 . . . . 0.85 110.618 174.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -75.39 -24.87 57.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 3.88 111.506 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -82.31 -51.13 8.2 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.431 0.53 . . . . 1.03 112.431 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.4 t -104.33 30.95 4.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.932 0.396 . . . . 1.45 111.53 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.15 -53.72 4.79 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.173 -0.771 . . . . 0.67 111.173 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 1.066 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 7.8 pt-20 . . . . . 0 N--CA 1.445 -0.714 0 CA-C-O 121.069 0.462 . . . . 2.0 109.795 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.858 ' HD2' ' HA ' ' A' ' 98' ' ' THR . 97.7 mtt180 . . . . . 0 N--CA 1.441 -0.894 0 CA-C-O 122.25 1.024 . . . . 2.3 112.879 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.678 ' HB3' HD22 ' A' ' 103' ' ' LEU . 40.5 m-85 -83.68 151.85 25.05 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 113.416 -1.72 . . . . 0.83 109.936 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 36.5 ptt180 -123.48 152.58 41.54 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 120.05 -0.66 . . . . 3.33 109.466 166.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.43 ' HB3' ' H ' ' A' ' 95' ' ' LYS . 41.9 t -58.18 116.59 3.66 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.789 -1.189 . . . . 0.91 107.789 170.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.402 ' H ' ' HG2' ' A' ' 91' ' ' GLU . 8.8 pt-20 -76.48 16.2 0.51 Allowed 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.272 0.558 . . . . 1.6 110.27 -176.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 90' ' ' CYS . 3.0 t70 -120.76 -39.17 2.76 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.743 -0.662 . . . . 2.13 111.018 175.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.702 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 14.7 p -125.79 -19.07 4.98 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 119.23 -0.988 . . . . 1.15 111.607 -177.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 90' ' ' CYS . . . 93.22 34.77 6.57 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 114.381 0.512 . . . . 1.01 114.381 169.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.702 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 65.5 mttt -87.01 134.24 33.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.085 -0.339 . . . . 1.97 110.085 174.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.647 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -88.11 123.03 32.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.153 0.501 . . . . 0.87 110.734 -176.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.527 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 81.3 m-85 -118.29 143.21 46.76 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.379 -0.828 . . . . 0.62 110.212 175.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.858 ' HA ' ' HD2' ' A' ' 87' ' ' ARG . 42.8 p -89.02 -11.69 43.47 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.067 -0.969 . . . . 0.61 110.091 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 102' ' ' ASN . 53.6 m -120.71 127.78 52.34 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.093 -0.958 . . . . 0.79 108.906 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 104' ' ' LYS . 18.6 p -72.22 -23.75 61.28 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.445 -0.343 . . . . 0.74 110.489 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.663 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -73.43 -42.3 41.87 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.734 -0.746 . . . . 0.71 112.602 174.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.557 ' H ' HG22 ' A' ' 99' ' ' THR . 36.4 m-80 -63.0 -34.54 77.78 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.176 -1.046 . . . . 1.4 108.176 173.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.678 HD22 ' HB3' ' A' ' 88' ' ' TYR . 10.9 tp -66.96 -52.67 39.96 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-N 114.333 -1.303 . . . . 0.54 109.928 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 101' ' ' GLY . 36.4 pttt -58.54 -42.06 86.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.336 -1.302 . . . . 2.27 111.593 -175.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.663 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 42.6 mtm180 -63.2 -35.73 81.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 4.34 109.583 176.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.658 ' CE1' ' HD2' ' A' ' 95' ' ' LYS . 58.5 t60 -73.32 -17.78 61.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.634 -1.166 . . . . 0.96 111.256 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 12.7 mm-40 -85.28 -27.58 25.89 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.778 -1.193 . . . . 1.53 107.778 178.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -82.97 -13.16 56.52 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 113.358 -1.746 . . . . 1.18 111.019 -175.757 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 106' ' ' HIS . 11.3 m -81.08 -19.47 11.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 N-CA-C 108.79 -0.818 . . . . 1.27 108.79 173.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.361 -0.836 . . . . 1.32 110.677 176.042 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo . . . . . 0 N--CA 1.451 -1.027 0 CA-C-O 121.715 0.631 . . . . 2.07 112.83 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.501 ' HB3' HD22 ' A' ' 75' ' ' LEU . 45.0 m-85 -123.3 100.86 7.05 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.456 -1.247 . . . . 2.4 108.49 171.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.71 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -114.13 144.66 18.33 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 119.983 -1.103 . . . . 1.34 113.471 -171.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.2 t -60.42 124.84 21.55 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.226 -0.987 . . . . 1.27 109.911 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.78 -11.1 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.481 0.658 . . . . 3.94 110.25 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.442 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -92.17 -40.35 11.06 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.402 -0.817 . . . . 1.76 112.128 -172.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.442 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 18.3 p -118.19 -25.67 6.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.868 0.842 . . . . 1.32 109.665 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.85 20.9 35.22 Favored Glycine 0 N--CA 1.429 -1.796 0 CA-C-N 114.593 -1.185 . . . . 1.31 113.366 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.74 122.54 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.799 -0.445 . . . . 2.43 109.799 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.71 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -91.29 142.18 27.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 1.39 111.646 -177.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.531 ' CD2' HD22 ' A' ' 74' ' ' LEU . 54.4 m-85 -123.34 161.48 24.59 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.528 -0.76 . . . . 1.33 110.268 175.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.05 -36.08 17.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.768 -0.651 . . . . 3.89 110.271 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 2.7 mp -102.37 150.92 22.86 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.619 -0.719 . . . . 1.92 110.683 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 10.7 mm -65.57 -46.95 88.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 1.59 110.121 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 54.9 m -65.97 -27.87 68.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 1.77 110.64 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 2.0 mt -60.02 -54.7 42.87 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.711 0.767 . . . . 1.15 111.309 174.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 60' ' ' TYR . 11.5 tp -69.64 -27.25 64.9 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.46 -1.245 . . . . 1.08 109.976 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -69.49 -37.75 77.36 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.499 -1.228 . . . . 1.34 108.967 179.419 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.705 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 0.7 OUTLIER -76.99 -28.84 55.24 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 115.134 -0.939 . . . . 0.64 110.021 177.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.437 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 48.4 t60 -61.47 -41.76 97.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.72 109.745 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.77 ' HG2' HD23 ' A' ' 96' ' ' LEU . 1.2 tppp? -71.45 -26.57 62.78 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.63 -0.878 . . . . 2.06 108.63 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.581 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 32.0 ttmt -70.38 -38.92 74.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.223 -0.898 . . . . 0.85 110.086 171.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 38.0 mmt180 -54.41 -47.45 72.76 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.845 0.355 . . . . 3.88 111.411 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.437 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 79.1 m-70 -62.99 -22.13 66.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.642 -0.708 . . . . 1.03 112.777 -173.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.5 m -117.01 12.2 14.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.032 0.444 . . . . 1.45 110.663 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.71 -53.96 4.35 Favored Glycine 0 N--CA 1.453 -0.206 0 N-CA-C 111.405 -0.678 . . . . 0.67 111.405 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.581 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.3 pt-20 . . . . . 0 N--CA 1.431 -1.389 0 N-CA-C 107.544 -1.28 . . . . 2.0 107.544 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.596 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.3 mmm180 . . . . . 0 N--CA 1.437 -1.118 0 CA-C-O 121.446 0.641 . . . . 2.3 110.92 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.667 ' HB3' HD22 ' A' ' 103' ' ' LEU . 18.9 m-85 -97.17 151.41 19.85 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.837 -1.074 . . . . 0.83 111.414 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 38.2 mtt180 -109.87 155.22 21.96 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.611 -0.885 . . . . 3.33 108.611 168.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 92' ' ' ASP . 9.4 t -74.03 114.11 11.97 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 105.935 -1.876 . . . . 0.91 105.935 158.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.59 0.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.114 0.415 . . . . 1.6 111.408 -176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -108.92 -40.92 4.87 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 116.432 -0.349 . . . . 2.13 110.716 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 3.6 p -131.42 1.77 4.15 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 119.248 -0.981 . . . . 1.15 111.245 -170.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.92 39.22 95.24 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.309 -0.86 . . . . 1.01 113.585 171.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.667 ' HD2' ' CE1' ' A' ' 106' ' ' HIS . 85.0 mttt -80.43 131.25 35.56 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.286 -1.005 . . . . 1.97 108.286 166.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.77 HD23 ' HG2' ' A' ' 79' ' ' LYS . 4.1 mm? -96.53 114.55 26.22 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.221 0.534 . . . . 0.87 110.489 -174.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 58.6 m-85 -110.44 136.46 49.55 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 121.578 0.704 . . . . 0.62 110.182 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.596 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 71.3 p -81.7 -8.21 59.68 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.699 -1.137 . . . . 0.61 110.276 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 101' ' ' GLY . 40.7 m -132.12 128.72 38.72 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.699 -1.137 . . . . 0.79 109.284 176.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.527 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 5.3 p -66.91 -25.07 66.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.805 -0.634 . . . . 0.74 110.906 -177.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.641 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -73.04 -46.28 28.86 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.903 -0.665 . . . . 0.71 112.264 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.44 ' H ' HG22 ' A' ' 99' ' ' THR . 3.9 m-20 -56.01 -39.4 71.84 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.599 -0.889 . . . . 1.4 108.599 172.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.0 tp -63.53 -52.2 62.18 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-N 113.863 -1.517 . . . . 0.54 109.502 178.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.639 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 24.2 ttpp -50.93 -45.92 60.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.265 -1.334 . . . . 2.27 111.913 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 101' ' ' GLY . 27.8 mmt180 -56.57 -42.27 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 4.34 109.251 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.693 ' O ' HG22 ' A' ' 109' ' ' VAL . 79.7 t60 -75.76 -16.94 60.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.631 -1.168 . . . . 0.96 111.949 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.639 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 3.1 mm-40 -82.26 -27.13 32.6 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 106.733 -1.58 . . . . 1.53 106.733 -178.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -80.41 -25.85 38.82 Favored 'General case' 0 C--O 1.2 -1.536 0 CA-C-N 112.914 -1.948 . . . . 1.18 110.614 -177.377 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.6 m -70.15 -22.92 24.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 C-N-CA 119.525 -0.87 . . . . 1.27 109.558 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.471 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 81.1 m-70 . . . . . 0 C--O 1.233 0.225 0 CA-C-N 115.862 -0.608 . . . . 1.32 111.272 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo . . . . . 0 N--CA 1.456 -0.715 0 CA-C-O 121.908 0.712 . . . . 2.07 111.353 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.813 ' HB3' HD22 ' A' ' 75' ' ' LEU . 3.8 m-30 -116.53 116.11 27.02 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 114.103 -1.408 . . . . 2.4 109.252 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.701 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -124.74 142.35 13.87 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 119.237 -1.458 . . . . 1.34 114.646 -171.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.436 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -63.45 123.47 18.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.798 -1.201 . . . . 1.27 110.017 177.094 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.51 -12.06 60.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.827 0.346 . . . . 3.94 111.739 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -35.34 11.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.123 0.786 . . . . 1.76 113.123 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 4.2 p -119.94 -3.05 10.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.917 0.865 . . . . 1.32 108.995 -174.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.12 37.77 95.03 Favored Glycine 0 N--CA 1.436 -1.358 0 CA-C-N 113.785 -1.552 . . . . 1.31 113.804 173.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -110.54 114.7 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.162 -0.31 . . . . 2.43 110.162 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.701 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -93.8 135.38 35.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.308 0.575 . . . . 1.39 111.047 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.595 ' CD2' HD22 ' A' ' 74' ' ' LEU . 37.0 m-85 -113.64 147.78 37.47 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.35 -0.841 . . . . 1.33 111.099 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -72.99 -38.38 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.624 -1.171 . . . . 3.89 111.108 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.858 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 3.9 mp -102.73 146.62 27.96 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.9 0.381 . . . . 1.92 110.208 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.66 HD12 ' CD2' ' A' ' 60' ' ' TYR . 5.1 mm -71.28 -39.2 72.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.929 -0.578 . . . . 1.59 109.652 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 15.4 m -70.9 -26.78 63.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.36 0.6 . . . . 1.77 110.066 176.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.858 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -61.14 -54.96 37.91 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.699 -0.682 . . . . 1.15 110.784 173.566 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 60' ' ' TYR . 7.6 tp -68.94 -27.77 66.04 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.415 -0.811 . . . . 1.08 109.765 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.6 t-20 -64.83 -37.78 88.78 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.12 -0.945 . . . . 1.34 109.646 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.506 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.7 mm? -81.51 -19.94 41.14 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.601 -0.727 . . . . 0.64 110.571 177.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.457 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 66.0 t60 -71.03 -41.4 70.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.759 -0.655 . . . . 0.72 109.711 171.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.561 ' HD3' ' CD2' ' A' ' 96' ' ' LEU . 13.7 ptpt -80.37 -24.17 39.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.171 -0.468 . . . . 2.06 109.93 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.703 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.2 ttmt -69.14 -37.12 78.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.85 109.664 168.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 81' ' ' ARG . 3.6 tmt_? -58.26 -49.95 75.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 3.88 111.738 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.457 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 89.4 m-70 -63.41 -36.7 84.61 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.073 0.397 . . . . 1.03 112.073 -175.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.3 m -88.56 -3.86 58.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.816 0.341 . . . . 1.45 110.955 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 91.11 -51.13 3.12 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 110.719 -0.952 . . . . 0.67 110.719 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.703 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 3.6 pt-20 . . . . . 0 N--CA 1.434 -1.263 0 N-CA-C 107.37 -1.345 . . . . 2.0 107.37 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.554 ' HD3' ' OE1' ' A' ' 85' ' ' GLU . 10.1 mmm180 . . . . . 0 N--CA 1.443 -0.792 0 CA-C-O 121.52 0.676 . . . . 2.3 110.996 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.676 ' HB3' HD22 ' A' ' 103' ' ' LEU . 19.5 m-85 -93.83 153.6 18.19 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.122 -0.944 . . . . 0.83 110.006 176.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 32.5 ptt180 -123.91 152.4 42.46 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 108.572 -0.899 . . . . 3.33 108.572 167.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.528 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 3.0 t -63.43 114.6 3.97 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.386 -1.339 . . . . 0.91 107.386 171.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.95 6.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.123 0.416 . . . . 1.6 112.123 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 90' ' ' CYS . 5.4 p30 -120.37 -32.99 3.98 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.625 -0.43 . . . . 2.13 111.97 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.931 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 7.8 p -129.06 -8.72 4.85 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 119.404 -0.918 . . . . 1.15 111.031 -174.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.47 35.7 40.97 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.423 -0.808 . . . . 1.01 113.52 169.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.931 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 73.7 mttt -89.34 130.72 35.67 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.774 -0.454 . . . . 1.97 109.774 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.561 ' CD2' ' HD3' ' A' ' 79' ' ' LYS . 3.5 mm? -91.51 120.61 32.47 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.145 0.497 . . . . 0.87 111.442 -172.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 82.0 m-85 -118.8 133.08 56.09 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.283 -0.871 . . . . 0.62 109.389 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.551 HG22 ' HG2' ' A' ' 85' ' ' GLU . 27.8 p -78.76 -9.5 59.46 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.547 -0.751 . . . . 0.61 109.978 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 102' ' ' ASN . 48.0 m -127.36 129.64 47.97 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.709 -1.132 . . . . 0.79 109.604 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 52.2 p -68.06 -27.63 66.68 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.132 -0.485 . . . . 0.74 111.214 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 104' ' ' LYS . . . -75.51 -39.15 36.07 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.757 -0.735 . . . . 0.71 112.514 174.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.555 ' H ' HG22 ' A' ' 99' ' ' THR . 95.0 m-20 -60.17 -41.26 92.48 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 108.29 -1.004 . . . . 1.4 108.29 172.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.3 tp -63.15 -55.89 21.39 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 113.859 -1.519 . . . . 0.54 109.508 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.567 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 27.7 ttmt -43.97 -53.15 6.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.322 -1.308 . . . . 2.27 112.728 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.6 ' HA ' HD22 ' A' ' 108' ' ' LEU . 38.3 ptt180 -62.17 -31.8 72.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.168 -0.613 . . . . 4.34 110.533 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.682 ' O ' HG22 ' A' ' 109' ' ' VAL . 73.3 t60 -76.92 -17.82 58.68 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.164 0.507 . . . . 0.96 110.917 174.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.567 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.7 mm-40 -84.3 -25.47 29.27 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.089 -1.448 . . . . 1.53 107.089 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.6 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -81.7 -15.28 54.94 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 113.177 -1.828 . . . . 1.18 110.93 -177.107 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 106' ' ' HIS . 7.0 m -83.99 -20.45 8.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 C-N-CA 119.661 -0.816 . . . . 1.27 109.372 176.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.45 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 43.9 m-70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.693 . . . . 1.32 110.523 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo . . . . . 0 N--CA 1.454 -0.843 0 CA-C-O 121.879 0.7 . . . . 2.07 112.651 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.446 ' HB3' HD22 ' A' ' 75' ' ' LEU . 22.1 m-85 -106.29 102.03 11.46 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 114.176 -1.374 . . . . 2.4 107.987 170.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.733 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -113.53 150.74 18.49 Favored Glycine 0 N--CA 1.431 -1.695 0 C-N-CA 119.439 -1.362 . . . . 1.34 114.15 -168.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.42 ' HG ' ' HG ' ' A' ' 65' ' ' CYS . 2.5 t -73.23 99.9 2.97 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 113.718 -1.241 . . . . 1.27 108.067 171.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.47 -5.43 23.89 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.945 0.879 . . . . 3.94 109.683 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.4 tt0 -76.21 -43.86 40.38 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.194 -1.366 . . . . 1.76 110.806 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.42 ' HG ' ' HG ' ' A' ' 62' ' ' CYS . 6.2 p -123.84 -19.41 5.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.457 0.646 . . . . 1.32 110.037 -173.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.41 31.61 8.26 Favored Glycine 0 N--CA 1.433 -1.511 0 CA-C-N 115.196 -0.911 . . . . 1.31 114.065 170.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -111.01 121.38 45.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.795 0.298 . . . . 2.43 110.272 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.733 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -93.28 139.08 31.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.164 0.507 . . . . 1.39 111.683 -178.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.55 ' CD2' HD22 ' A' ' 74' ' ' LEU . 48.2 m-85 -115.97 168.32 10.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.61 -0.723 . . . . 1.33 110.546 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' C ' HD13 ' A' ' 71' ' ' LEU . 41.1 mtm180 -87.75 -41.82 13.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.506 -0.316 . . . . 3.89 110.946 -177.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.617 HD22 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -106.61 159.63 16.05 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.134 -0.227 . . . . 1.92 110.698 -176.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 25.0 mm -65.39 -48.07 84.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.617 -0.265 . . . . 1.59 110.402 175.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.547 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 8.5 t -65.51 -28.43 69.18 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-O 120.976 0.417 . . . . 1.77 110.513 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.617 HD12 HD22 ' A' ' 71' ' ' LEU . 1.5 mt -57.07 -57.42 12.63 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.999 0.904 . . . . 1.15 111.024 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.9 tp -69.71 -25.99 64.13 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 113.915 -1.493 . . . . 1.08 109.805 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 73' ' ' SER . 1.6 t-20 -70.62 -35.73 73.1 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.284 -1.326 . . . . 1.34 109.243 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.564 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.1 mm? -79.98 -23.78 41.37 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.607 -0.724 . . . . 0.64 110.22 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -69.26 -41.3 77.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.452 -0.794 . . . . 0.72 109.243 170.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -71.23 -39.88 71.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.307 -0.861 . . . . 2.06 108.818 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 1.002 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 28.6 ttmt -58.54 -40.87 84.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.787 -1.097 . . . . 0.85 110.182 172.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -58.07 -45.38 87.21 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.485 -0.325 . . . . 3.88 111.467 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -65.22 -35.95 82.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.389 -0.369 . . . . 1.03 111.285 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.7 m -101.05 17.32 22.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.523 -0.308 . . . . 1.45 111.526 -173.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.67 -62.87 3.49 Favored Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 111.195 -0.762 . . . . 0.67 111.195 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 1.002 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 8.3 pt-20 . . . . . 0 N--CA 1.446 -0.636 0 N-CA-C 109.089 -0.708 . . . . 2.0 109.089 174.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.648 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.5 mmm180 . . . . . 0 N--CA 1.441 -0.909 0 CA-C-O 121.547 0.689 . . . . 2.3 111.682 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.674 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.0 m-85 -93.72 154.03 18.02 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.745 -1.116 . . . . 0.83 110.651 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.615 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.7 mtt180 -111.76 153.86 25.89 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 108.831 -0.803 . . . . 3.33 108.831 167.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.711 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 2.4 t -67.47 111.38 4.07 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 106.199 -1.778 . . . . 0.91 106.199 164.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.3 1.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.138 0.421 . . . . 1.6 112.138 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.474 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.9 p30 -114.74 -33.17 5.58 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.695 -0.229 . . . . 2.13 111.595 -177.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.879 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.5 p -130.73 -16.48 3.33 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 119.178 -1.009 . . . . 1.15 111.549 -174.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 88.42 27.1 26.02 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 116.511 -0.313 . . . . 1.01 112.856 169.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.879 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 68.3 mttt -81.66 138.64 35.26 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.209 -0.293 . . . . 1.97 110.209 175.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.674 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.6 mm? -94.31 122.71 37.14 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.386 0.612 . . . . 0.87 111.445 -173.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 82.1 m-85 -121.44 135.92 55.01 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.41 -0.814 . . . . 0.62 110.013 176.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.648 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 46.6 p -80.83 -6.42 58.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.515 -0.766 . . . . 0.61 110.608 -176.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 102' ' ' ASN . 3.6 m -138.54 129.77 27.16 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 114.871 -1.059 . . . . 0.79 109.336 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.616 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 13.7 p -66.04 -25.46 67.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 0.74 111.385 -177.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.29 -43.61 54.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.71 112.455 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.579 ' H ' HG22 ' A' ' 99' ' ' THR . 21.5 m120 -61.71 -38.91 89.62 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 108.745 -0.835 . . . . 1.4 108.745 172.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.8 tp -61.13 -49.64 76.46 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-N 114.162 -1.381 . . . . 0.54 108.919 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.551 ' O ' HD13 ' A' ' 108' ' ' LEU . 27.1 ttpp -51.63 -46.78 63.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.067 -1.424 . . . . 2.27 111.804 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 109' ' ' VAL . 40.9 mmt180 -54.2 -45.51 72.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.754 0.787 . . . . 4.34 109.924 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.711 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 43.1 t60 -74.16 -16.1 61.0 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.558 -1.201 . . . . 0.96 111.239 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 4.9 mm-40 -83.25 -29.74 28.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.52 -1.289 . . . . 1.53 107.52 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -77.59 -18.15 57.13 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 113.406 -1.724 . . . . 1.18 110.787 -176.602 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.4 m -78.48 -22.62 13.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 C-N-CA 119.557 -0.857 . . . . 1.27 109.497 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.476 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 66.9 m-70 . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 115.813 -0.63 . . . . 1.32 110.685 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo . . . . . 0 N--CA 1.452 -0.918 0 CA-C-O 121.621 0.592 . . . . 2.07 111.353 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.47 ' CE2' HG12 ' A' ' 72' ' ' ILE . 41.0 m-85 -121.35 85.61 2.43 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.906 -1.146 . . . . 2.4 107.906 174.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 1.032 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -105.24 144.95 15.84 Favored Glycine 0 N--CA 1.427 -1.957 0 C-N-CA 120.097 -1.049 . . . . 1.34 113.031 -170.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.551 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -71.72 99.15 2.07 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 108.202 -1.036 . . . . 1.27 108.202 173.501 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -66.17 -3.75 6.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.205 0.526 . . . . 3.94 111.648 -176.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.03 -39.73 15.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.689 -0.687 . . . . 1.76 111.629 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -119.72 -6.28 10.15 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.879 0.847 . . . . 1.32 109.268 -172.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.39 25.94 67.01 Favored Glycine 0 N--CA 1.429 -1.804 0 CA-C-N 114.283 -1.326 . . . . 1.31 113.579 171.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HZ3' ' HB3' ' A' ' 67' ' ' LYS . 8.6 mtpm? -104.42 109.67 21.63 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.694 -0.484 . . . . 2.43 109.694 175.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 1.032 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -89.95 142.61 27.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.943 0.401 . . . . 1.39 110.327 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.569 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 41.4 m-85 -120.7 152.53 38.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.412 0.625 . . . . 1.33 111.251 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 7.5 ttp180 -72.99 -39.93 65.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.628 -1.169 . . . . 3.89 111.022 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.721 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 5.3 mp -106.14 152.55 23.29 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.965 -0.561 . . . . 1.92 111.386 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.0 mm -66.67 -41.07 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.805 -0.634 . . . . 1.59 109.445 172.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.562 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 13.5 p -68.57 -29.06 67.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.401 0.619 . . . . 1.77 110.833 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.721 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.7 mt -62.34 -54.57 38.59 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 121.596 0.712 . . . . 1.15 111.323 174.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.0 tp -69.52 -25.21 63.92 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.819 -1.082 . . . . 1.08 109.344 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -63.11 -43.86 97.25 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.275 -1.329 . . . . 1.34 109.585 177.408 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 3.8 mm? -77.95 -22.07 50.08 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.491 -0.777 . . . . 0.64 110.568 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 81' ' ' ARG . 61.5 t60 -70.77 -37.82 73.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.006 -0.739 . . . . 0.72 109.006 170.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.469 ' HE3' HD23 ' A' ' 96' ' ' LEU . 14.6 tppt? -69.14 -37.03 78.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.847 -0.797 . . . . 2.06 108.847 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 1.063 ' HG2' ' HA ' ' A' ' 85' ' ' GLU . 73.6 mttt -62.58 -31.42 72.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.783 -1.099 . . . . 0.85 110.776 173.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 30.0 tpt180 -62.82 -41.04 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.894 -0.593 . . . . 3.88 110.86 177.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -82.59 -51.72 7.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.55 -0.295 . . . . 1.03 111.735 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -113.07 30.8 6.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.487 0.551 . . . . 1.45 112.487 -167.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.71 -58.33 4.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.852 -0.689 . . . . 0.67 112.659 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 1.063 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 7.9 pt-20 . . . . . 0 N--CA 1.445 -0.701 0 CA-C-O 121.226 0.536 . . . . 2.0 110.273 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.558 ' HG2' ' HG3' ' A' ' 85' ' ' GLU . 26.3 mmm180 . . . . . 0 N--CA 1.443 -0.789 0 CA-C-O 121.52 0.676 . . . . 2.3 111.719 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.719 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 21.4 m-85 -88.3 146.06 25.51 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.931 -1.031 . . . . 0.83 110.326 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.667 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 37.4 mtt85 -105.47 153.62 21.46 Favored 'General case' 0 CA--C 1.492 -1.288 0 N-CA-C 108.598 -0.89 . . . . 3.33 108.598 169.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.62 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 7.6 t -71.63 108.27 4.9 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 106.064 -1.828 . . . . 0.91 106.064 164.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.98 14.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.37 0.507 . . . . 1.6 112.37 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 90' ' ' CYS . 2.1 p30 -120.24 -38.03 2.98 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.493 -0.321 . . . . 2.13 111.372 173.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.737 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 11.4 p -130.27 -8.34 4.26 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 119.629 -0.828 . . . . 1.15 111.677 -173.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.65 39.09 35.54 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.814 -0.63 . . . . 1.01 114.106 170.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.737 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 28.7 mtpt -81.99 144.83 30.61 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.472 -0.936 . . . . 1.97 108.472 169.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.719 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.9 mm? -104.52 106.01 16.34 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.445 -0.502 . . . . 0.87 110.99 -174.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 80.2 m-85 -103.26 135.73 44.35 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.557 -0.747 . . . . 0.62 109.742 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.9 p -80.22 -11.66 59.71 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.228 -0.896 . . . . 0.61 110.022 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 102' ' ' ASN . 92.7 m -121.88 128.03 51.14 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.863 -1.062 . . . . 0.79 109.44 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.594 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 13.3 p -67.22 -33.78 76.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.223 -0.444 . . . . 0.74 110.313 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -66.71 -42.95 92.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.906 -0.664 . . . . 0.71 112.303 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.51 ' H ' HG22 ' A' ' 99' ' ' THR . 5.3 m-20 -63.69 -36.09 82.72 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 108.656 -0.868 . . . . 1.4 108.656 175.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.693 HD22 ' HB3' ' A' ' 88' ' ' TYR . 11.2 tp -65.18 -51.11 63.07 Favored 'General case' 0 N--CA 1.422 -1.871 0 CA-C-N 114.01 -1.45 . . . . 0.54 109.225 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.594 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 26.6 mtpp -54.64 -42.54 71.37 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.262 -1.336 . . . . 2.27 111.688 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.547 ' O ' HG13 ' A' ' 109' ' ' VAL . 41.5 mmt180 -55.33 -45.42 76.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.889 0.376 . . . . 4.34 109.996 175.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.699 ' O ' HG22 ' A' ' 109' ' ' VAL . 77.0 t60 -72.34 -17.56 61.83 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.898 -0.592 . . . . 0.96 111.808 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.62 ' NE2' ' HA ' ' A' ' 90' ' ' CYS . 8.0 mm-40 -79.4 -29.21 41.92 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.119 -1.437 . . . . 1.53 107.119 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -78.24 -33.06 49.99 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-N 113.274 -1.785 . . . . 1.18 110.001 -177.125 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.4 m -64.44 -21.5 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 C-N-CA 120.291 -0.564 . . . . 1.27 109.691 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.441 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 34.6 m-70 . . . . . 0 CA--C 1.531 0.249 0 CA-C-N 115.846 -0.616 . . . . 1.32 112.107 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 N--CA 1.457 -0.635 0 CA-C-O 121.942 0.726 . . . . 2.07 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.405 ' CE2' HG12 ' A' ' 72' ' ' ILE . 61.7 m-85 -102.43 101.06 11.24 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 113.728 -1.578 . . . . 2.4 108.803 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.67 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -102.92 145.59 16.36 Favored Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 119.755 -1.212 . . . . 1.34 113.212 -173.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.521 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -61.02 154.94 21.36 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.068 -1.066 . . . . 1.27 112.157 -175.403 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -74.45 -37.3 63.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.559 -1.201 . . . . 3.94 111.023 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.477 ' OE1' ' SG ' ' A' ' 62' ' ' CYS . 1.5 pm0 -100.75 -40.74 7.19 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.588 0.588 . . . . 1.76 112.588 -167.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.2 p -109.3 -14.65 14.42 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.401 1.096 . . . . 1.32 108.241 -171.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 60.55 34.19 84.83 Favored Glycine 0 N--CA 1.432 -1.591 0 CA-C-N 113.033 -1.894 . . . . 1.31 114.588 171.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.466 ' O ' ' HA2' ' A' ' 61' ' ' GLY . 96.3 mttt -86.5 128.74 34.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.235 -0.654 . . . . 2.43 109.235 173.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.67 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.06 131.1 34.79 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.926 0.87 . . . . 1.39 112.26 -176.47 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.703 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 39.5 m-85 -122.86 129.72 51.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.428 -1.26 . . . . 1.33 109.867 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -74.55 -18.07 60.64 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.289 -0.564 . . . . 3.89 112.233 -174.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.585 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -105.2 150.45 25.08 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.356 -0.538 . . . . 1.92 110.404 170.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.0 mm -69.49 -42.44 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 1.59 109.649 175.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.2 m -61.11 -38.98 88.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 1.77 110.525 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.703 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 3.8 mt -51.12 -57.05 9.72 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.443 -0.798 . . . . 1.15 111.824 173.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 16.3 tp -70.4 -26.17 63.57 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 114.443 -1.253 . . . . 1.08 109.848 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.544 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -72.57 -39.34 67.5 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.224 -1.353 . . . . 1.34 109.322 -178.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.4 mm? -80.6 -19.58 45.2 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.413 -0.812 . . . . 0.64 110.062 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.479 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 55.3 t60 -73.72 -41.22 62.85 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.348 -0.842 . . . . 0.72 109.96 172.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' ' 76' ' ' ASN . 16.8 ptpt -78.1 -29.02 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.126 -0.694 . . . . 2.06 109.126 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.937 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 29.8 ttmt -62.41 -38.08 88.28 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.162 -0.926 . . . . 0.85 109.65 169.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -63.6 -34.71 78.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.547 -0.751 . . . . 3.88 111.856 -177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 79.0 m-70 -65.91 -25.24 67.06 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.8 0.296 . . . . 1.03 111.8 -178.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m -119.06 16.68 13.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.808 0.337 . . . . 1.45 111.066 -176.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.44 -50.15 4.16 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.664 -0.779 . . . . 0.67 111.499 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.937 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.434 -1.243 0 N-CA-C 108.774 -0.824 . . . . 2.0 108.774 173.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.572 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 9.4 mmm180 . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 121.443 0.639 . . . . 2.3 111.613 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.64 ' HB3' HD22 ' A' ' 103' ' ' LEU . 14.3 m-85 -91.44 159.72 15.82 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.01 -0.996 . . . . 0.83 110.174 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 27.7 ptt180 -126.75 154.02 44.76 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.991 -0.744 . . . . 3.33 108.991 168.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.478 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 5.5 t -64.03 131.89 48.95 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.12 -1.067 . . . . 0.91 108.12 173.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -75.83 5.73 5.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.934 0.397 . . . . 1.6 111.048 -174.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.411 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.7 p30 -120.56 -42.56 2.53 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.36 -0.382 . . . . 2.13 111.85 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.0 p -126.42 3.67 6.95 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.452 0.644 . . . . 1.15 110.178 -168.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.02 36.69 91.13 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 114.867 -1.061 . . . . 1.01 114.526 171.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 83.9 mttt -81.59 131.86 35.29 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.839 -0.43 . . . . 1.97 109.839 171.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.587 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -91.14 121.9 33.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.208 0.528 . . . . 0.87 110.732 -175.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.567 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 54.1 m-85 -120.0 135.17 55.02 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.399 -0.819 . . . . 0.62 109.915 176.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.569 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 79.3 p -80.12 -11.03 59.79 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.093 -0.958 . . . . 0.61 110.554 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.596 HG22 ' H ' ' A' ' 102' ' ' ASN . 8.1 m -128.89 129.01 44.97 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.914 -1.039 . . . . 0.79 109.106 177.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 5.9 p -68.05 -26.0 65.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.718 -0.673 . . . . 0.74 110.996 -175.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -72.28 -44.77 42.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.121 -0.561 . . . . 0.71 112.531 175.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.596 ' H ' HG22 ' A' ' 99' ' ' THR . 17.3 m120 -59.36 -38.3 80.08 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 108.331 -0.988 . . . . 1.4 108.331 173.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 88' ' ' TYR . 14.0 tp -63.02 -51.09 68.13 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-N 114.007 -1.451 . . . . 0.54 109.589 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.459 ' O ' HD13 ' A' ' 108' ' ' LEU . 24.2 ttmm -54.53 -46.14 73.5 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 114.23 -1.35 . . . . 2.27 111.305 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.604 ' O ' HG13 ' A' ' 109' ' ' VAL . 46.1 mtt180 -56.42 -41.86 77.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.137 0.494 . . . . 4.34 109.815 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.695 ' O ' HG22 ' A' ' 109' ' ' VAL . 72.0 t60 -72.35 -18.1 61.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.629 -0.714 . . . . 0.96 111.344 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 13.1 mm-40 -82.73 -26.74 31.68 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.657 -1.238 . . . . 1.53 107.657 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -80.55 -29.0 37.14 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 113.584 -1.643 . . . . 1.18 110.041 -178.303 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -65.29 -21.93 30.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 C-N-CA 119.861 -0.736 . . . . 1.27 109.393 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.546 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 57.3 m-70 . . . . . 0 CA--C 1.534 0.356 0 CA-C-N 115.882 -0.599 . . . . 1.32 112.201 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo . . . . . 0 N--CA 1.454 -0.848 0 CA-C-O 121.618 0.591 . . . . 2.07 112.132 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -122.09 104.43 9.49 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 114.336 -1.302 . . . . 2.4 108.422 174.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.674 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -118.59 155.63 16.0 Favored Glycine 0 N--CA 1.433 -1.54 0 C-N-CA 119.348 -1.406 . . . . 1.34 114.472 -168.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.561 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 53.3 t -76.78 140.57 40.79 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.577 -1.312 . . . . 1.27 109.999 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -90.49 -24.69 20.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.301 0.572 . . . . 3.94 109.819 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -37.8 21.04 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.615 -0.721 . . . . 1.76 111.81 -171.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.437 ' SG ' ' NE2' ' A' ' 78' ' ' HIS . 26.6 p -116.42 -22.85 8.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.746 0.784 . . . . 1.32 109.039 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.561 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 88.04 22.81 40.39 Favored Glycine 0 N--CA 1.433 -1.531 0 CA-C-N 114.493 -1.23 . . . . 1.31 113.806 169.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 67' ' ' LYS . 25.9 mtpp -91.01 123.35 34.41 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.83 -0.348 . . . . 2.43 110.462 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.674 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -92.0 135.89 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.014 0.435 . . . . 1.39 111.001 178.337 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.619 ' CD2' HD22 ' A' ' 74' ' ' LEU . 50.6 m-85 -117.01 165.0 13.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.811 -0.632 . . . . 1.33 111.012 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -85.82 -40.26 16.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.978 -0.556 . . . . 3.89 111.635 -178.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.667 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -105.01 155.39 19.0 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.849 -0.34 . . . . 1.92 110.756 -178.555 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.625 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 17.9 mm -64.56 -43.43 96.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.702 -0.481 . . . . 1.59 109.702 174.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 p -65.02 -34.61 78.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.446 . . . . 1.77 110.866 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.667 HD12 HD22 ' A' ' 71' ' ' LEU . 2.5 mt -54.74 -56.65 16.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.67 0.747 . . . . 1.15 111.755 173.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 10.8 tp -71.61 -25.16 62.05 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.67 -1.15 . . . . 1.08 109.553 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.625 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -68.99 -40.65 78.63 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.521 -1.218 . . . . 1.34 108.924 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.598 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 3.2 mm? -80.5 -19.84 44.96 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.159 -0.928 . . . . 0.64 110.254 179.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.446 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 59.2 t60 -68.11 -44.7 75.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.694 -0.684 . . . . 0.72 109.773 169.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -73.69 -34.29 64.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.313 -0.858 . . . . 2.06 108.876 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 1.073 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 29.0 ttmt -66.85 -38.93 87.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.913 -1.04 . . . . 0.85 110.293 172.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -58.72 -44.31 90.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 3.88 111.66 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.446 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 73.9 m-70 -56.06 -49.83 72.67 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.932 0.345 . . . . 1.03 111.932 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -100.7 28.38 5.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.864 0.364 . . . . 1.45 111.033 -175.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.92 -58.74 4.54 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.07 -0.812 . . . . 0.67 111.07 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 1.073 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 11.1 pt-20 . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 121.58 0.705 . . . . 2.0 110.544 173.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 9.7 mmm180 . . . . . 0 N--CA 1.442 -0.849 0 CA-C-O 121.534 0.683 . . . . 2.3 111.16 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.69 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 22.3 m-85 -90.7 151.25 21.32 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.921 -1.036 . . . . 0.83 111.363 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.684 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.4 mtt180 -108.91 155.29 21.01 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.638 -0.875 . . . . 3.33 108.638 169.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.535 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 4.6 t -74.17 125.43 28.36 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 107.577 -1.268 . . . . 0.91 107.577 168.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -63.91 1.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.154 0.427 . . . . 1.6 112.154 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.423 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.1 p30 -119.73 -39.2 2.87 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 112.123 0.416 . . . . 2.13 112.123 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.528 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 12.3 p -130.22 1.24 4.66 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 119.591 -0.844 . . . . 1.15 111.125 -169.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.7 36.32 89.32 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.474 -0.785 . . . . 1.01 113.916 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.528 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 90.0 mttt -80.87 134.21 35.72 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.569 -0.53 . . . . 1.97 109.569 170.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.69 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.7 mm? -93.86 119.51 32.89 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.111 0.481 . . . . 0.87 111.094 -173.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 62.3 m-85 -119.62 138.48 53.21 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.493 -0.776 . . . . 0.62 110.432 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.515 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 81.8 p -82.3 -10.41 59.11 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.892 -1.049 . . . . 0.61 110.304 -177.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.594 HG22 ' H ' ' A' ' 102' ' ' ASN . 55.3 m -127.73 128.75 45.92 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.61 -1.177 . . . . 0.79 109.317 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 22.5 p -69.27 -27.38 65.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.314 -0.403 . . . . 0.74 110.922 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.418 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.05 -34.92 32.07 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.436 -0.888 . . . . 0.71 112.345 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.594 ' H ' HG22 ' A' ' 99' ' ' THR . 91.2 m-20 -63.11 -40.5 97.81 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 107.786 -1.19 . . . . 1.4 107.786 171.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 88' ' ' TYR . 14.9 tp -59.98 -57.79 11.32 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 113.57 -1.65 . . . . 0.54 109.266 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.785 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 18.1 ttmm -45.21 -48.08 12.61 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.409 -1.269 . . . . 2.27 112.266 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.582 ' O ' HG13 ' A' ' 109' ' ' VAL . 23.6 mmm180 -53.94 -45.4 71.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 4.34 110.442 175.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.643 ' O ' HG22 ' A' ' 109' ' ' VAL . 80.5 t60 -72.78 -17.46 61.58 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.901 -0.59 . . . . 0.96 111.58 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.785 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.6 mt-30 -84.52 -27.06 27.64 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 107.055 -1.461 . . . . 1.53 107.055 -176.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -74.45 -39.37 62.59 Favored 'General case' 0 CA--C 1.487 -1.467 0 CA-C-N 113.407 -1.724 . . . . 1.18 109.434 -178.372 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.0 m -62.03 -16.45 15.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-O 121.007 0.432 . . . . 1.27 110.504 -174.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.496 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 51.3 m-70 . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 112.69 0.626 . . . . 1.32 112.69 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.847 -0.427 . . . . 4.18 109.847 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.35 117.88 4.67 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.939 2.426 . . . . 2.07 111.679 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.409 ' CE2' HG12 ' A' ' 72' ' ' ILE . 26.5 m-85 -106.88 101.56 10.98 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.135 -1.393 . . . . 2.4 109.214 178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.648 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -112.41 153.7 17.28 Favored Glycine 0 N--CA 1.432 -1.627 0 C-N-CA 120.009 -1.091 . . . . 1.34 113.53 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.516 ' SG ' ' HE2' ' A' ' 79' ' ' LYS . 12.3 t -70.1 114.1 7.93 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.19 -1.005 . . . . 1.27 110.648 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.41 -18.87 31.45 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.942 0.877 . . . . 3.94 110.89 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.0 OUTLIER -87.38 -45.04 10.91 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.787 -1.097 . . . . 1.76 112.658 -171.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.2 p -124.55 -19.99 5.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.364 0.602 . . . . 1.32 110.665 -171.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.23 30.98 10.12 Favored Glycine 0 N--CA 1.435 -1.432 0 CA-C-N 115.23 -0.895 . . . . 1.31 114.415 168.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.39 124.57 48.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.137 0.469 . . . . 2.43 110.202 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.648 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.38 140.25 29.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.96 0.409 . . . . 1.39 111.472 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.56 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 37.8 m-85 -119.16 161.11 20.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.493 -0.776 . . . . 1.33 111.306 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' C ' HD13 ' A' ' 71' ' ' LEU . 33.0 mmt180 -74.01 -43.03 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.95 -0.568 . . . . 3.89 111.537 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.649 HD22 HD12 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -112.41 163.22 14.69 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.013 -0.275 . . . . 1.92 111.181 -177.15 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.522 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.4 mm -68.05 -43.67 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 1.59 109.681 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -63.45 -35.56 80.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.889 -0.596 . . . . 1.77 110.514 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.649 HD12 HD22 ' A' ' 71' ' ' LEU . 2.2 mt -55.66 -55.69 29.12 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.584 0.707 . . . . 1.15 111.464 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 13.5 tp -69.55 -25.19 63.89 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.61 -1.177 . . . . 1.08 109.845 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -71.09 -36.99 72.43 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.55 -1.204 . . . . 1.34 109.223 179.599 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -79.39 -25.51 42.11 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.432 -0.804 . . . . 0.64 110.32 177.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.422 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 36.3 t60 -66.78 -42.13 86.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.63 -0.713 . . . . 0.72 109.283 170.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.516 ' HE2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -71.54 -35.86 70.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.801 -0.814 . . . . 2.06 108.801 -179.209 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.86 ' HE2' ' H ' ' A' ' 86' ' ' ALA . 33.9 ttmt -62.36 -40.9 97.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.973 -1.012 . . . . 0.85 110.436 172.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 48.6 ttp180 -58.84 -39.02 80.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 3.88 111.991 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.422 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 59.9 m-70 -67.61 -30.51 70.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.422 -0.354 . . . . 1.03 111.919 -176.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 p -107.24 11.79 28.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.769 0.319 . . . . 1.45 111.213 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.21 -60.73 4.81 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.084 -0.806 . . . . 0.67 111.084 -175.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.654 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -136.72 164.73 27.57 Favored 'General case' 0 N--CA 1.418 -2.062 0 N-CA-C 107.783 -1.191 . . . . 2.0 107.783 178.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.86 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -126.47 105.5 8.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.006 0.431 . . . . 0.78 110.001 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -95.99 -81.67 0.4 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.656 0.741 . . . . 2.3 111.45 -174.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 25.9 m-85 -87.17 156.51 19.66 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.792 -1.094 . . . . 0.83 109.605 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.567 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 16.1 ptt180 -126.07 153.6 44.24 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 108.611 -0.885 . . . . 3.33 108.611 166.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.58 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 2.1 t -64.77 120.58 12.74 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.123 -1.436 . . . . 0.91 107.123 170.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -70.23 7.45 1.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.099 0.476 . . . . 1.6 111.578 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.465 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.2 p30 -120.72 -42.93 2.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.814 -0.63 . . . . 2.13 111.697 -177.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.856 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 14.0 p -120.37 -13.09 8.89 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 119.906 -0.718 . . . . 1.15 110.036 -172.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.97 33.97 31.7 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.769 -1.105 . . . . 1.01 113.203 169.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.856 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 38.2 mttp -84.71 131.98 34.51 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 110.161 -0.311 . . . . 1.97 110.161 174.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.609 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -91.46 126.62 36.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.291 0.567 . . . . 0.87 110.683 -175.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.474 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 72.0 m-85 -124.42 141.83 51.77 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.294 -0.867 . . . . 0.62 109.906 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.4 p -86.95 -13.14 45.51 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.315 -0.857 . . . . 0.61 109.807 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.564 HG22 ' H ' ' A' ' 102' ' ' ASN . 94.5 m -118.86 127.64 53.69 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 114.609 -1.178 . . . . 0.79 109.009 177.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 24.7 p -72.37 -23.55 61.14 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.267 -0.424 . . . . 0.74 109.982 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.514 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -74.42 -44.0 29.0 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.952 -0.567 . . . . 0.71 112.51 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.564 ' H ' HG22 ' A' ' 99' ' ' THR . 87.4 m-20 -59.3 -38.17 79.55 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.14 -1.059 . . . . 1.4 108.14 173.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.593 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.4 tp -64.92 -52.48 56.19 Favored 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 113.705 -1.589 . . . . 0.54 109.209 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.68 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 23.3 ttmm -51.19 -50.13 59.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.433 -1.258 . . . . 2.27 112.404 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.533 ' O ' HG13 ' A' ' 109' ' ' VAL . 43.4 mtm180 -57.56 -37.37 73.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.478 0.656 . . . . 4.34 109.862 178.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.663 ' O ' HG22 ' A' ' 109' ' ' VAL . 65.3 t60 -76.53 -16.45 59.62 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.945 -1.025 . . . . 0.96 111.319 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.68 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.1 mm-40 -85.88 -27.56 24.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.932 -1.507 . . . . 1.53 106.932 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.565 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -81.61 -13.33 58.1 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 113.43 -1.714 . . . . 1.18 110.897 -175.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 106' ' ' HIS . 10.2 m -81.61 -18.52 11.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 C-N-CA 119.758 -0.777 . . . . 1.27 109.223 174.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.458 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 67.6 m-70 -92.24 -7.64 47.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.678 -0.692 . . . . 1.32 110.554 175.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.9 m -153.85 46.66 0.62 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.728 0.775 . . . . 1.93 109.567 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.565 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 N--CA 1.441 -1.011 0 CA-C-N 114.945 -1.025 . . . . 2.49 111.264 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 14.1 mmtt . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.908 0.385 . . . . 4.18 111.047 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 5.2 Cg_endo -89.53 118.06 0.79 Allowed 'Trans proline' 0 N--CA 1.442 -1.514 0 C-N-CA 123.617 2.878 . . . . 2.07 111.031 173.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -112.25 94.8 5.11 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.754 -1.112 . . . . 2.4 108.278 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.791 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -103.82 145.31 16.1 Favored Glycine 0 N--CA 1.429 -1.823 0 C-N-CA 119.791 -1.195 . . . . 1.34 113.641 -172.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 6.0 t -61.85 118.37 7.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.47 -1.365 . . . . 1.27 109.84 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -68.71 -14.16 62.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.4 0.619 . . . . 3.94 111.078 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.17 -38.2 10.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.216 -0.902 . . . . 1.76 113.077 -172.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 30.3 p -119.04 -23.17 6.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.672 0.749 . . . . 1.32 109.812 -175.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.23 17.13 47.89 Favored Glycine 0 N--CA 1.432 -1.583 0 CA-C-N 114.724 -1.126 . . . . 1.31 114.15 173.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -88.69 122.5 32.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.069 0.434 . . . . 2.43 110.729 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.791 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.27 138.93 31.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 1.39 111.83 -178.693 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.534 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 43.7 m-85 -123.51 160.81 26.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.763 -0.653 . . . . 1.33 110.889 174.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' C ' HD13 ' A' ' 71' ' ' LEU . 7.3 mpt_? -79.74 -41.41 26.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.437 -0.347 . . . . 3.89 111.69 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -107.39 156.51 18.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.742 0.306 . . . . 1.92 110.643 -177.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.59 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 22.0 mm -67.21 -42.22 87.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.551 -0.537 . . . . 1.59 109.551 174.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 p -61.28 -37.58 83.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.22 0.533 . . . . 1.77 110.98 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 71' ' ' LEU . 2.2 mt -54.1 -57.2 12.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.81 0.814 . . . . 1.15 111.673 173.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.5 tp -71.96 -22.29 61.47 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 114.491 -1.232 . . . . 1.08 109.653 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.2 t-20 -69.45 -38.37 77.75 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.527 -1.215 . . . . 1.34 109.29 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -79.44 -23.22 43.27 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.494 -0.775 . . . . 0.64 110.078 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -70.41 -40.96 73.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.248 -0.887 . . . . 0.72 109.333 171.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.74 -41.55 71.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.251 -0.886 . . . . 2.06 108.848 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.902 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.9 ttmt -58.86 -36.44 74.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.989 -1.005 . . . . 0.85 110.431 173.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 17.1 tpt180 -64.17 -36.82 85.3 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.643 -0.423 . . . . 3.88 111.681 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -74.39 -45.11 48.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.397 . . . . 1.03 111.311 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.3 m -84.44 6.48 23.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.459 -0.337 . . . . 1.45 111.495 -176.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.72 -55.51 4.85 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.649 -0.981 . . . . 0.67 110.649 -175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.902 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.4 pm0 -143.3 -175.38 4.52 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 109.194 -0.669 . . . . 2.0 109.194 171.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.646 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -139.09 101.15 4.2 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.911 -0.774 . . . . 0.78 108.911 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.761 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 17.5 mmm180 -100.77 -74.88 0.6 Allowed 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.356 -0.838 . . . . 2.3 111.369 -168.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.697 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 23.9 m-85 -95.58 155.44 16.74 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.621 -1.172 . . . . 0.83 109.635 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.688 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 35.2 ptt180 -125.58 152.41 45.13 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.811 -0.811 . . . . 3.33 108.811 167.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.484 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 9.3 t -63.48 130.07 42.87 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.507 -0.923 . . . . 0.91 108.507 175.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -62.79 -9.3 8.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.482 0.488 . . . . 1.6 111.84 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.484 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.5 p30 -120.37 -35.24 3.46 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 112.671 0.619 . . . . 2.13 112.671 -172.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.571 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 9.3 p -128.03 1.2 5.9 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 119.33 -0.948 . . . . 1.15 110.717 -171.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.17 39.21 96.92 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 114.952 -1.022 . . . . 1.01 114.678 170.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.688 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 25.7 mtpp -83.89 132.56 34.78 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 117.16 0.48 . . . . 1.97 109.727 171.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.697 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.3 mm? -90.22 111.3 22.43 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.272 0.558 . . . . 0.87 110.901 -177.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.54 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 82.6 m-85 -109.16 140.42 42.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.644 -0.707 . . . . 0.62 109.263 175.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.462 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 52.3 p -87.94 -6.4 58.05 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.552 0.691 . . . . 0.61 110.17 -178.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.572 HG22 ' H ' ' A' ' 102' ' ' ASN . 38.7 m -127.7 128.75 45.96 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.875 -1.057 . . . . 0.79 109.219 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.652 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 26.6 p -69.48 -29.4 67.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.01 -0.541 . . . . 0.74 111.269 -175.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.46 ' HA2' ' HB2' ' A' ' 104' ' ' LYS . . . -77.7 -33.87 41.04 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.296 -0.954 . . . . 0.71 112.357 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.572 ' H ' HG22 ' A' ' 99' ' ' THR . 4.1 m-20 -65.62 -39.3 91.35 Favored 'General case' 0 CA--C 1.492 -1.257 0 N-CA-C 107.767 -1.198 . . . . 1.4 107.767 172.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.649 HD22 ' HB3' ' A' ' 88' ' ' TYR . 13.5 tp -61.06 -58.45 8.37 Favored 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 113.719 -1.582 . . . . 0.54 109.209 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.709 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 3.8 mptp? -40.1 -54.36 2.29 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 124.748 1.28 . . . . 2.27 111.798 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.635 ' O ' HG13 ' A' ' 109' ' ' VAL . 23.2 mmm180 -49.21 -48.8 45.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.218 0.532 . . . . 4.34 110.41 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 109' ' ' VAL . 81.9 t60 -71.25 -17.46 62.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.495 -0.775 . . . . 0.96 112.056 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.709 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 5.6 mt-30 -84.67 -30.4 24.88 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.789 -1.559 . . . . 1.53 106.789 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -73.42 -37.07 66.02 Favored 'General case' 0 C--O 1.201 -1.479 0 CA-C-N 113.085 -1.87 . . . . 1.18 109.406 -176.61 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 105' ' ' ARG . 4.8 m -62.59 -17.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-O 121.151 0.5 . . . . 1.27 110.393 -175.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.48 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 48.0 m-70 -79.63 9.55 4.91 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.858 0.688 . . . . 1.32 112.858 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -168.73 -38.49 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.191 0.996 . . . . 1.93 110.0 176.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.306 -1.125 0 CA-C-N 113.55 -1.659 . . . . 2.49 111.999 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.2 pttp . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.927 0.394 . . . . 4.18 110.744 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.46 124.87 12.57 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.384 2.723 . . . . 2.07 112.738 -175.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -101.37 97.97 8.39 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 113.651 -1.613 . . . . 2.4 108.854 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.669 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -110.14 148.25 17.41 Favored Glycine 0 N--CA 1.431 -1.652 0 C-N-CA 119.835 -1.174 . . . . 1.34 113.735 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.507 ' SG ' ' HE2' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -70.91 125.35 26.62 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 113.916 -1.142 . . . . 1.27 110.212 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.846 0.831 . . . . 3.94 110.712 -177.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' HG3' ' SG ' ' A' ' 62' ' ' CYS . 0.3 OUTLIER -85.28 -40.4 16.63 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.769 -1.105 . . . . 1.76 112.503 -170.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.71 -0.26 8.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.811 0.815 . . . . 1.32 109.734 -169.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.14 37.4 92.81 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.201 -1.363 . . . . 1.31 114.745 171.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -109.6 127.85 54.81 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.603 -0.517 . . . . 2.43 109.603 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.669 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -95.92 139.6 31.88 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.394 0.616 . . . . 1.39 111.692 -176.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 74' ' ' LEU . 49.7 m-85 -121.04 148.11 44.59 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.197 -0.911 . . . . 1.33 110.753 174.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -75.26 -33.95 61.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.069 -0.969 . . . . 3.89 111.195 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 4.7 mp -107.77 146.36 32.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 1.92 111.063 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.543 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.1 mm -62.5 -45.33 99.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.61 -0.723 . . . . 1.59 110.68 175.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 32.5 t -69.77 -24.32 63.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.957 0.408 . . . . 1.77 110.263 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.1 mt -64.86 -52.91 54.06 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 121.311 0.576 . . . . 1.15 110.903 175.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 11.4 tp -68.86 -29.4 67.7 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.041 -0.982 . . . . 1.08 109.587 177.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -65.51 -39.97 92.46 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.582 -1.19 . . . . 1.34 109.689 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 1.4 mm? -77.67 -26.17 50.1 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.302 -0.863 . . . . 0.64 110.415 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -65.25 -41.6 94.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.525 -0.546 . . . . 0.72 109.525 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.784 ' HG2' HD23 ' A' ' 96' ' ' LEU . 2.2 tppp? -69.77 -32.99 71.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.703 -0.851 . . . . 2.06 108.703 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.548 ' HA ' ' HB2' ' A' ' 86' ' ' ALA . 33.6 ttmt -69.91 -33.56 72.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.18 -0.918 . . . . 0.85 110.634 175.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 36.3 mmt180 -60.16 -39.29 85.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.717 0.294 . . . . 3.88 111.636 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.09 -39.38 82.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.403 0.52 . . . . 1.03 112.403 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m -108.39 14.74 24.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.691 0.282 . . . . 1.45 111.527 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.15 -59.79 4.52 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.951 -0.86 . . . . 0.67 110.951 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.602 ' HG3' ' NE ' ' A' ' 87' ' ' ARG . 2.6 pm0 -123.07 -172.26 2.46 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.011 -1.107 . . . . 2.0 108.011 170.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.553 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -145.52 106.98 4.21 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 109.94 -0.392 . . . . 0.78 109.94 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.602 ' NE ' ' HG3' ' A' ' 85' ' ' GLU . 21.0 mmt180 -101.08 -78.23 0.53 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.292 0.568 . . . . 2.3 111.037 -176.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.749 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.9 m-85 -91.29 153.5 19.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.098 -0.955 . . . . 0.83 111.47 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.593 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 47.7 mtt180 -108.12 153.8 22.62 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.899 -0.778 . . . . 3.33 108.899 169.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.498 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 8.2 t -70.18 117.75 12.13 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.115 -1.809 . . . . 0.91 106.115 163.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.04 -5.25 0.61 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.309 0.485 . . . . 1.6 112.309 -174.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.466 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.4 p30 -115.02 -36.08 4.54 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.599 -0.273 . . . . 2.13 111.622 -176.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.818 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 3.8 p -130.95 3.76 4.43 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 119.481 -0.888 . . . . 1.15 111.21 -171.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.06 39.16 97.23 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.37 -0.832 . . . . 1.01 114.293 168.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.818 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 10.5 mtpp -87.27 135.02 33.47 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.79 -0.819 . . . . 1.97 108.79 172.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.784 HD23 ' HG2' ' A' ' 79' ' ' LYS . 3.9 mm? -94.4 105.24 17.21 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.303 0.573 . . . . 0.87 111.504 -172.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.479 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 93.9 m-85 -100.72 142.88 31.57 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.486 -0.779 . . . . 0.62 110.017 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.526 HG22 ' HG2' ' A' ' 85' ' ' GLU . 71.1 p -93.05 7.09 45.59 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-O 121.947 0.879 . . . . 0.61 110.379 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.543 HG22 ' H ' ' A' ' 102' ' ' ASN . 22.5 m -144.24 129.26 18.54 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 114.386 -1.279 . . . . 0.79 109.215 175.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.0 p -67.09 -26.89 66.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.812 -0.631 . . . . 0.74 110.695 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.642 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -75.47 -44.01 22.83 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.906 -0.588 . . . . 0.71 112.374 175.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.543 ' H ' HG22 ' A' ' 99' ' ' THR . 12.3 m120 -57.03 -38.96 73.91 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.183 -1.043 . . . . 1.4 108.183 173.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.6 tp -63.63 -56.57 14.79 Favored 'General case' 0 N--CA 1.417 -2.102 0 CA-C-N 113.48 -1.691 . . . . 0.54 109.727 178.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.834 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 40.2 ttpt -47.66 -49.63 26.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.546 -1.206 . . . . 2.27 112.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 49.0 mtt180 -59.69 -35.9 75.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.053 0.454 . . . . 4.34 110.076 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.722 ' O ' HG22 ' A' ' 109' ' ' VAL . 76.3 t60 -76.81 -17.56 58.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.213 -0.903 . . . . 0.96 111.201 176.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.834 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mt-30 -84.06 -27.29 28.4 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.412 -1.699 . . . . 1.53 106.412 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.622 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -83.49 -9.44 58.98 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 112.895 -1.957 . . . . 1.18 111.242 -176.164 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 106' ' ' HIS . 11.0 m -83.48 -17.61 10.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 C-N-CA 119.596 -0.841 . . . . 1.27 108.807 173.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 70.3 m-70 -89.86 -12.14 39.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.055 -0.975 . . . . 1.32 110.284 175.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.2 p -143.49 36.57 1.33 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.694 0.759 . . . . 1.93 109.836 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.622 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.675 -1.07 . . . . 2.49 111.673 -170.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.463 0.173 . . . . 4.18 110.745 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.4 118.9 5.81 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.715 2.276 . . . . 2.07 110.585 170.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.49 ' HB3' HD22 ' A' ' 75' ' ' LEU . 44.9 m-85 -96.15 100.21 11.88 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.541 -1.209 . . . . 2.4 109.521 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.739 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -113.5 144.56 18.18 Favored Glycine 0 N--CA 1.436 -1.347 0 C-N-CA 119.895 -1.145 . . . . 1.34 114.147 -171.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.478 ' SG ' ' HG3' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -61.32 130.92 48.5 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.913 -1.143 . . . . 1.27 110.832 178.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -75.63 -16.55 60.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.323 0.582 . . . . 3.94 111.075 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.478 ' HG3' ' SG ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -91.64 -37.54 13.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.754 0.65 . . . . 1.76 112.754 -174.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.5 p -126.86 2.08 6.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.592 0.711 . . . . 1.32 109.69 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.26 38.1 92.79 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 114.308 -1.314 . . . . 1.31 114.592 171.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -110.15 117.01 32.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.14 -0.319 . . . . 2.43 110.14 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.739 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -86.23 141.96 28.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.504 0.668 . . . . 1.39 111.905 -178.035 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.592 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 47.5 m-85 -120.54 142.7 49.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.969 -1.014 . . . . 1.33 110.054 173.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -69.91 -17.92 63.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.617 -0.72 . . . . 3.89 112.138 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 24.7 mt -127.84 163.44 24.4 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.523 -0.471 . . . . 1.92 111.398 -177.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.4 mm -74.17 -51.91 22.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.569 -0.742 . . . . 1.59 110.491 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 17.7 m -63.5 -26.5 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.415 0.626 . . . . 1.77 110.349 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 4.5 mt -58.48 -58.7 7.36 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.148 -0.933 . . . . 1.15 111.781 172.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 6.1 tp -71.85 -22.27 61.55 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 114.8 -1.091 . . . . 1.08 109.486 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -68.08 -39.76 82.82 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.455 -1.248 . . . . 1.34 108.752 177.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.3 mm? -80.5 -22.32 41.07 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.205 -0.907 . . . . 0.64 110.374 178.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 75' ' ' LEU . 59.7 t60 -69.12 -40.9 78.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.257 -0.646 . . . . 0.72 109.257 170.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.684 ' HG2' HD23 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -72.25 -38.29 68.92 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.384 -0.969 . . . . 2.06 108.384 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.837 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 34.4 ttmt -62.98 -29.84 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.767 -1.106 . . . . 0.85 110.19 173.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -66.1 -43.41 87.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.458 -0.337 . . . . 3.88 110.964 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -74.03 -50.32 20.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.701 0.286 . . . . 1.03 111.469 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.1 m -86.66 11.09 13.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.249 0.463 . . . . 1.45 112.249 -172.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.73 -55.16 5.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.648 -0.787 . . . . 0.67 111.196 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.837 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.7 pm0 -135.4 -179.87 5.9 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 108.828 -0.804 . . . . 2.0 108.828 171.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.574 ' HB3' ' HE3' ' A' ' 80' ' ' LYS . . . -139.46 107.18 5.62 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.12 -0.696 . . . . 0.78 109.12 176.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.747 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 16.0 mmm180 -101.03 -81.57 0.47 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.399 0.619 . . . . 2.3 110.895 -172.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.676 ' HB3' HD22 ' A' ' 103' ' ' LEU . 25.4 m-85 -94.69 152.89 18.11 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.421 -0.808 . . . . 0.83 110.318 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 11.2 ptt180 -124.26 153.9 40.99 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.466 -0.938 . . . . 3.33 108.466 167.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.503 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 25.3 t -65.56 118.11 9.01 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.443 -1.253 . . . . 0.91 108.605 172.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.57 -0.95 0.31 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.419 0.449 . . . . 1.6 111.793 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.503 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -113.8 -42.2 3.46 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 120.914 -0.314 . . . . 2.13 111.397 -175.61 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.761 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 8.9 p -130.82 -2.54 4.14 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 119.353 -0.939 . . . . 1.15 111.218 -171.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 72.86 39.31 55.16 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.346 -0.843 . . . . 1.01 114.228 168.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.761 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 57.6 mttt -92.07 131.54 37.26 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.355 -0.609 . . . . 1.97 109.355 174.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.684 HD23 ' HG2' ' A' ' 79' ' ' LYS . 3.9 mm? -90.85 121.17 32.48 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.183 0.516 . . . . 0.87 110.987 -174.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 86.3 m-85 -116.31 136.14 53.26 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.495 -0.775 . . . . 0.62 109.896 177.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.594 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 64.1 p -85.33 -3.37 58.81 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.223 -0.899 . . . . 0.61 110.04 -178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 101' ' ' GLY . 24.9 m -133.34 128.54 35.89 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-N 114.514 -1.221 . . . . 0.79 109.042 175.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 26.1 p -67.52 -23.24 65.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.274 -0.421 . . . . 0.74 110.9 -177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.468 ' H ' HG22 ' A' ' 99' ' ' THR . . . -73.08 -46.07 29.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.925 -0.655 . . . . 0.71 112.28 174.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.436 ' H ' HG22 ' A' ' 99' ' ' THR . 12.2 m120 -56.03 -38.24 70.29 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.541 -0.911 . . . . 1.4 108.541 172.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 88' ' ' TYR . 19.5 tp -66.14 -52.58 47.06 Favored 'General case' 0 N--CA 1.419 -2.019 0 CA-C-N 113.803 -1.544 . . . . 0.54 109.46 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.685 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 39.2 ttmt -51.88 -49.33 63.2 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.302 -1.317 . . . . 2.27 112.431 -177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.626 ' HA ' HD22 ' A' ' 108' ' ' LEU . 35.8 ptt180 -66.98 -26.95 67.06 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 119.724 -0.79 . . . . 4.34 110.004 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.707 ' O ' HG22 ' A' ' 109' ' ' VAL . 72.5 t60 -78.98 -16.8 56.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 0.96 110.481 174.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.685 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -82.92 -27.14 30.83 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 105.938 -1.875 . . . . 1.53 105.938 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -83.06 -17.56 42.79 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 112.552 -2.113 . . . . 1.18 111.212 -176.315 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.707 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -76.03 -19.49 15.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 C-N-CA 119.7 -0.8 . . . . 1.27 109.22 175.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.472 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 89.7 m-70 -95.08 -1.59 51.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.447 -0.797 . . . . 1.32 110.725 177.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.0 m -151.85 37.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.524 0.678 . . . . 1.93 109.448 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.15 -1.361 . . . . 2.49 111.625 -171.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.4 mttm . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.805 0.336 . . . . 4.18 111.161 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.66 117.75 5.18 Favored 'Trans proline' 0 N--CA 1.449 -1.126 0 C-N-CA 122.892 2.395 . . . . 2.07 109.956 169.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.449 ' HB3' HD22 ' A' ' 75' ' ' LEU . 41.5 m-85 -88.88 93.74 9.7 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.307 -0.861 . . . . 2.4 109.649 -175.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.677 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -108.21 145.24 16.29 Favored Glycine 0 N--CA 1.433 -1.552 0 C-N-CA 120.135 -1.031 . . . . 1.34 113.724 -172.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 22.0 t -60.74 122.34 14.54 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.808 -1.196 . . . . 1.27 110.338 177.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.12 -18.3 64.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.397 0.618 . . . . 3.94 110.397 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.554 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -82.15 -47.38 12.59 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.133 -0.939 . . . . 1.76 112.024 -173.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.2 p -121.74 -21.88 5.99 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.375 0.607 . . . . 1.32 110.27 -169.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.27 39.38 5.7 Favored Glycine 0 N--CA 1.437 -1.26 0 CA-C-N 115.189 -0.914 . . . . 1.31 113.781 168.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 61' ' ' GLY . 64.6 mttm -110.43 120.27 41.87 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.814 -0.439 . . . . 2.43 109.814 176.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.677 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -87.86 135.15 33.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.211 0.529 . . . . 1.39 111.004 -177.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.656 ' CD2' HD22 ' A' ' 74' ' ' LEU . 40.4 m-85 -112.99 162.67 15.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.524 -0.762 . . . . 1.33 111.517 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -79.43 -41.7 27.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.436 -0.802 . . . . 3.89 110.592 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.839 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 6.0 mp -105.22 148.53 26.85 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.21 -0.45 . . . . 1.92 111.111 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.93 -45.54 98.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.563 -0.744 . . . . 1.59 109.274 171.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -38.61 87.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 1.77 110.39 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.839 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -57.67 -49.88 75.03 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.455 0.645 . . . . 1.15 111.392 177.435 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 5.1 tp -70.13 -30.55 67.76 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 114.935 -1.029 . . . . 1.08 110.15 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -71.23 -34.22 70.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.221 -0.9 . . . . 1.34 109.557 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -80.66 -22.5 40.4 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.299 -0.864 . . . . 0.64 110.143 178.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.436 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 20.3 t60 -67.15 -48.37 68.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.073 -0.967 . . . . 0.72 109.191 169.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -77.2 -20.24 55.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.464 -0.789 . . . . 2.06 109.804 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.944 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 18.4 ttmt -70.92 -43.61 67.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.272 -0.876 . . . . 0.85 110.102 169.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 23.7 tpt180 -65.56 -30.07 70.76 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.315 -0.402 . . . . 3.88 111.997 -173.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.436 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 56.9 m-70 -60.27 -24.01 64.59 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.787 0.327 . . . . 1.03 111.288 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 m -118.23 20.8 13.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.211 0.529 . . . . 1.45 110.401 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.43 -59.34 4.38 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.294 -0.723 . . . . 0.67 111.294 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.944 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 6.8 pt-20 -153.42 141.2 20.07 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.663 -0.866 . . . . 2.0 108.663 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.57 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -90.94 95.12 9.96 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.121 0.486 . . . . 0.78 110.324 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.56 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 10.2 mmm180 -82.85 -91.61 0.07 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.388 -0.823 . . . . 2.3 111.565 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.684 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 27.3 m-85 -90.86 152.24 20.83 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.883 -1.053 . . . . 0.83 111.047 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.724 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 29.8 mtt180 -108.83 154.5 22.01 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.351 -0.981 . . . . 3.33 108.351 168.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.591 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 5.5 t -71.0 122.92 20.89 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 106.643 -1.614 . . . . 0.91 106.643 168.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -61.61 -3.03 0.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.996 0.369 . . . . 1.6 111.996 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.497 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.3 p30 -118.75 -36.97 3.34 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.402 -0.363 . . . . 2.13 111.966 -174.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.646 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 9.3 p -130.43 3.44 4.65 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 119.738 -0.785 . . . . 1.15 110.812 -171.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.65 36.69 90.53 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.221 -0.9 . . . . 1.01 114.604 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.646 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 15.6 mtpp -79.78 140.25 36.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.304 -0.628 . . . . 1.97 109.304 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.724 ' CD1' ' HG3' ' A' ' 89' ' ' ARG . 3.4 mm? -96.38 114.24 25.9 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.277 0.561 . . . . 0.87 110.548 -176.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 83.5 m-85 -112.89 135.43 53.67 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.309 -0.859 . . . . 0.62 109.893 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.56 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 44.6 p -79.45 -13.52 59.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.95 -1.023 . . . . 0.61 109.621 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.56 HG22 ' H ' ' A' ' 102' ' ' ASN . 53.9 m -123.87 127.92 48.73 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 114.379 -1.282 . . . . 0.79 109.289 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 17.8 p -68.35 -25.71 65.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.173 -0.467 . . . . 0.74 111.14 -178.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.04 -41.82 26.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.994 -0.622 . . . . 0.71 112.571 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.56 ' H ' HG22 ' A' ' 99' ' ' THR . 4.4 m-20 -59.04 -36.43 74.98 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 108.248 -1.019 . . . . 1.4 108.248 172.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 88' ' ' TYR . 15.4 tp -65.77 -57.58 7.66 Favored 'General case' 0 N--CA 1.415 -2.204 0 CA-C-N 113.933 -1.485 . . . . 0.54 109.204 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.799 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 41.6 ttmt -47.86 -50.54 26.01 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.448 -1.251 . . . . 2.27 112.499 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.601 ' HA ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -62.3 -29.6 70.55 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.441 -0.503 . . . . 4.34 110.341 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.74 ' O ' HG22 ' A' ' 109' ' ' VAL . 78.8 t60 -79.22 -19.1 51.59 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.96 110.759 176.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.799 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 8.0 mt-30 -81.38 -25.97 35.85 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 106.527 -1.657 . . . . 1.53 106.527 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -82.67 -15.68 51.1 Favored 'General case' 0 C--O 1.206 -1.205 0 CA-C-N 112.872 -1.967 . . . . 1.18 111.533 -176.236 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.9 m -78.67 -16.65 13.59 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.76 -0.83 . . . . 1.27 108.76 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.505 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 71.7 m-70 -89.49 -13.59 37.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.226 -0.897 . . . . 1.32 110.696 175.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.8 p -141.41 34.09 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.537 0.684 . . . . 1.93 109.515 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.537 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.3 -1.278 . . . . 2.49 111.244 -171.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 75.1 mmtt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.465 -0.568 . . . . 4.18 109.465 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.78 116.84 4.64 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 122.342 2.028 . . . . 2.07 111.626 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 58' ' ' LYS . 52.7 m-85 -124.11 105.51 9.6 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 114.255 -1.339 . . . . 2.4 109.728 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.805 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -106.93 162.14 13.62 Favored Glycine 0 N--CA 1.435 -1.41 0 C-N-CA 119.745 -1.216 . . . . 1.34 113.86 -171.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.569 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 45.2 t -80.13 141.65 35.55 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 113.989 -1.105 . . . . 1.27 110.347 177.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -85.19 -26.77 26.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.416 0.627 . . . . 3.94 110.088 177.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.17 -35.0 17.63 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.521 -0.763 . . . . 1.76 112.156 -167.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.1 p -114.73 -27.06 7.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.897 0.856 . . . . 1.32 108.925 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.569 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 86.31 35.8 10.43 Favored Glycine 0 N--CA 1.434 -1.47 0 CA-C-N 114.173 -1.376 . . . . 1.31 114.059 169.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -110.82 136.91 49.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.99 0.395 . . . . 2.43 110.075 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.805 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -90.37 137.4 32.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.063 0.458 . . . . 1.39 111.43 -177.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.592 ' CD2' HD22 ' A' ' 74' ' ' LEU . 19.2 m-85 -109.62 168.82 9.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.386 0.612 . . . . 1.33 111.759 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -83.2 -40.49 19.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.632 -1.167 . . . . 3.89 111.443 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 8.0 mp -115.81 159.39 21.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 1.92 111.697 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 10.0 mm -63.84 -50.58 76.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.514 -0.766 . . . . 1.59 109.965 172.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 20.0 t -66.77 -27.02 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 1.77 110.302 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.93 -53.09 59.45 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.357 0.598 . . . . 1.15 110.649 174.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HG ' ' HE3' ' A' ' 79' ' ' LYS . 13.2 tp -70.0 -27.18 64.49 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.088 -0.96 . . . . 1.08 109.865 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -68.44 -38.53 81.23 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.776 -1.102 . . . . 1.34 109.709 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.9 mm? -80.23 -20.41 44.65 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.513 0.673 . . . . 0.64 109.897 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.588 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 49.1 t60 -68.74 -45.21 72.06 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.085 -0.962 . . . . 0.72 109.723 171.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.698 ' HD3' HD23 ' A' ' 96' ' ' LEU . 16.5 ptpt -80.73 -20.44 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.062 -0.517 . . . . 2.06 109.833 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.604 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 32.8 ttmt -71.67 -38.67 70.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.633 -0.712 . . . . 0.85 109.367 168.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -59.25 -43.07 92.46 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.09 -0.505 . . . . 3.88 112.055 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.588 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 95.2 m-70 -67.51 -29.12 68.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.736 0.303 . . . . 1.03 111.505 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 m -105.48 9.25 33.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.752 0.31 . . . . 1.45 111.42 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.62 -59.12 4.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.582 -0.818 . . . . 0.67 111.291 -175.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.901 ' HG3' ' HE ' ' A' ' 87' ' ' ARG . 1.1 pm0 -132.46 -169.15 2.18 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 108.857 -0.794 . . . . 2.0 108.857 172.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.574 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -152.25 98.76 2.45 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.518 -0.549 . . . . 0.78 109.518 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.901 ' HE ' ' HG3' ' A' ' 85' ' ' GLU . 20.5 mmt180 -93.03 -77.28 0.45 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.468 0.651 . . . . 2.3 111.495 -170.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.717 ' HB3' HD22 ' A' ' 103' ' ' LEU . 9.9 m-85 -93.52 150.78 20.17 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.741 -1.118 . . . . 0.83 109.816 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 13.2 ptt-85 -122.96 153.82 39.22 Favored 'General case' 0 CA--C 1.494 -1.202 0 CA-C-O 121.766 0.793 . . . . 3.33 109.011 167.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.562 ' C ' ' H ' ' A' ' 92' ' ' ASP . 12.6 t -68.28 109.43 3.6 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.911 -1.514 . . . . 0.91 106.911 166.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.6 13.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.56 0.695 . . . . 1.6 110.484 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.562 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -106.9 -47.77 3.64 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.807 -1.088 . . . . 2.13 109.743 178.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.743 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 13.7 p -130.54 -5.85 4.18 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.989 -0.684 . . . . 1.15 111.034 -173.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.76 40.39 26.5 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.328 -0.851 . . . . 1.01 113.964 169.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.743 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 60.3 mttt -93.12 129.32 39.15 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.192 -0.67 . . . . 1.97 109.192 173.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.698 HD23 ' HD3' ' A' ' 79' ' ' LYS . 4.1 mm? -94.1 114.95 27.2 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.087 0.47 . . . . 0.87 111.025 -173.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -108.14 141.24 40.17 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.468 -0.787 . . . . 0.62 109.897 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.475 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 65.8 p -94.08 13.23 23.73 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 122.134 0.968 . . . . 0.61 109.837 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 102' ' ' ASN . 33.7 m -149.35 128.62 12.88 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 113.979 -1.464 . . . . 0.79 108.678 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.3 p -66.55 -28.13 68.29 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.211 -0.449 . . . . 0.74 110.769 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.51 -42.71 72.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.877 -0.678 . . . . 0.71 112.434 174.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 4.6 m-20 -59.58 -38.23 80.63 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.463 -0.94 . . . . 1.4 108.463 173.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.717 HD22 ' HB3' ' A' ' 88' ' ' TYR . 30.8 tp -65.39 -54.78 23.71 Favored 'General case' 0 N--CA 1.418 -2.066 0 CA-C-N 113.894 -1.503 . . . . 0.54 109.345 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.631 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 83.7 mttt -48.42 -51.33 27.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.51 -1.223 . . . . 2.27 112.589 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.578 ' O ' HG13 ' A' ' 109' ' ' VAL . 8.0 ppt_? -62.37 -29.4 70.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.107 -0.637 . . . . 4.34 110.203 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.692 ' O ' HG22 ' A' ' 109' ' ' VAL . 78.0 t60 -80.68 -17.82 49.92 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.253 0.549 . . . . 0.96 111.112 175.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.631 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -82.57 -24.54 33.92 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.802 -1.555 . . . . 1.53 106.802 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -83.71 -27.46 28.97 Favored 'General case' 0 C--O 1.202 -1.402 0 CA-C-N 113.215 -1.812 . . . . 1.18 110.665 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.5 m -66.29 -21.24 28.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 C-N-CA 119.729 -0.788 . . . . 1.27 109.34 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.45 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 89.4 m-70 -87.8 -1.49 58.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.548 -0.751 . . . . 1.32 111.875 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 t -162.91 40.04 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.879 0.847 . . . . 1.93 108.906 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.767 -1.106 . . . . 2.49 111.49 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.057 -0.349 . . . . 4.18 110.057 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.36 115.64 3.45 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.19 1.926 . . . . 2.07 111.503 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -129.48 97.12 4.46 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 114.383 -1.281 . . . . 2.4 108.941 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 1.047 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -101.98 150.98 18.38 Favored Glycine 0 N--CA 1.426 -1.984 0 C-N-CA 120.015 -1.088 . . . . 1.34 113.285 -171.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 64' ' ' GLU . 1.4 t -76.88 98.84 5.0 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.409 -0.96 . . . . 1.27 108.409 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.18 -5.83 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.126 0.965 . . . . 3.94 109.839 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 62' ' ' CYS . 1.5 tt0 -82.77 -38.87 22.58 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.007 -1.451 . . . . 1.76 111.725 -177.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 p -129.04 -14.17 4.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.153 0.501 . . . . 1.32 111.086 -175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.28 26.59 17.97 Favored Glycine 0 N--CA 1.434 -1.458 0 CA-C-N 115.573 -0.739 . . . . 1.31 114.198 171.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -111.97 119.34 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.545 -0.385 . . . . 2.43 110.852 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 1.047 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -87.48 138.44 31.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.93 0.395 . . . . 1.39 110.88 178.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.583 ' CD2' HD22 ' A' ' 74' ' ' LEU . 34.0 m-85 -113.3 174.71 5.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.0 -0.545 . . . . 1.33 111.442 178.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.48 ' C ' HD13 ' A' ' 71' ' ' LEU . 22.3 mmm180 -96.08 -37.63 10.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.733 -0.667 . . . . 3.89 111.088 -172.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.672 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -112.08 161.3 16.64 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.255 -0.278 . . . . 1.92 110.389 178.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.3 mm -66.02 -47.9 83.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.851 -0.426 . . . . 1.59 109.851 174.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 t -61.38 -35.63 78.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 1.77 110.417 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.672 HD12 HD22 ' A' ' 71' ' ' LEU . 1.2 mt -54.32 -55.5 27.76 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 121.578 0.704 . . . . 1.15 111.593 174.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 17.9 tp -68.7 -30.61 69.3 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.549 -1.205 . . . . 1.08 109.656 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -70.15 -43.45 70.86 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.141 -1.39 . . . . 1.34 109.343 -176.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.788 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.4 mm? -80.99 -20.94 40.77 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 115.18 -0.918 . . . . 0.64 110.339 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.409 ' HD1' ' HH ' ' A' ' 69' ' ' TYR . 23.4 t60 -64.92 -43.19 93.59 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.924 -0.769 . . . . 0.72 108.924 169.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.872 ' HD3' HD23 ' A' ' 96' ' ' LEU . 14.0 ttmm -66.93 -31.55 72.21 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.369 -0.832 . . . . 2.06 109.26 178.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 1.008 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 13.5 mptt -62.38 -47.07 85.76 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.579 -0.737 . . . . 0.85 110.78 169.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.788 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 30.0 mmm180 -54.79 -26.95 38.02 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.12 0.415 . . . . 3.88 112.12 -176.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -64.9 -45.21 86.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.18 -0.464 . . . . 1.03 112.072 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 p -130.14 30.5 4.78 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.199 0.444 . . . . 1.45 112.199 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.1 -57.56 4.61 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.193 -0.763 . . . . 0.67 111.193 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 1.008 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.2 pm0 -137.14 -172.75 3.27 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 109.248 -0.649 . . . . 2.0 109.248 173.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.495 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -145.17 100.35 3.46 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.082 -0.71 . . . . 0.78 109.082 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.676 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 23.1 mmm180 -96.37 -80.32 0.43 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.308 0.575 . . . . 2.3 111.696 -170.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.653 ' HB3' HD22 ' A' ' 103' ' ' LEU . 10.0 m-85 -88.16 154.61 20.31 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.101 -0.954 . . . . 0.83 109.984 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.559 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 19.5 ptt180 -124.25 150.33 45.45 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 119.884 -0.726 . . . . 3.33 110.073 170.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.495 ' SG ' ' OD1' ' A' ' 92' ' ' ASP . 19.3 t -60.58 123.39 17.24 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.182 -1.372 . . . . 0.91 108.124 171.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.55 6.17 2.0 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.025 0.44 . . . . 1.6 111.129 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.495 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -116.08 -43.34 2.98 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.092 -0.504 . . . . 2.13 111.173 -178.189 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 6.5 p -130.19 1.09 4.67 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 119.611 -0.836 . . . . 1.15 110.468 -171.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 69.6 36.06 75.63 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.169 -0.923 . . . . 1.01 113.403 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 9.4 mmtp -81.49 125.5 30.54 Favored 'General case' 0 N--CA 1.432 -1.369 0 C-N-CA 123.017 0.527 . . . . 1.97 110.262 174.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.872 HD23 ' HD3' ' A' ' 79' ' ' LYS . 3.7 mm? -89.31 126.53 35.56 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.279 0.561 . . . . 0.87 111.21 -175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.526 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 90.2 m-85 -124.22 141.67 51.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.399 -0.819 . . . . 0.62 110.239 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.574 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 81.4 p -88.68 4.06 48.53 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.001 0.905 . . . . 0.61 110.023 -178.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 102' ' ' ASN . 50.9 m -143.83 128.85 18.57 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.31 -1.314 . . . . 0.79 109.158 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.558 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 9.1 p -67.27 -27.48 67.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 0.74 111.133 -176.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.547 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -73.99 -41.85 39.14 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.783 -0.722 . . . . 0.71 112.164 175.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.51 ' H ' HG22 ' A' ' 99' ' ' THR . 11.4 m120 -59.2 -38.13 79.14 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 108.308 -0.997 . . . . 1.4 108.308 173.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 88' ' ' TYR . 14.2 tp -65.02 -51.74 59.92 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 113.475 -1.693 . . . . 0.54 109.4 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.429 ' O ' HD13 ' A' ' 108' ' ' LEU . 21.1 ttmm -50.2 -48.43 54.25 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.358 -1.292 . . . . 2.27 111.533 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.602 ' O ' HG13 ' A' ' 109' ' ' VAL . 10.4 mmm180 -56.58 -44.28 80.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.411 . . . . 4.34 109.919 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 109' ' ' VAL . 70.6 t60 -69.16 -18.76 63.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.812 -0.631 . . . . 0.96 111.29 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 12.5 mm-40 -81.76 -29.0 33.01 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 107.452 -1.314 . . . . 1.53 107.452 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.486 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -82.36 -18.45 42.06 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 113.488 -1.687 . . . . 1.18 110.85 -175.413 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.9 m -77.29 -19.56 14.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 C-N-CA 119.94 -0.704 . . . . 1.27 109.254 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.561 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 84.4 m-70 -87.99 -9.22 54.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.621 -0.718 . . . . 1.32 111.234 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 p -158.55 41.54 0.25 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.479 0.656 . . . . 1.93 110.412 -176.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.499 -1.167 . . . . 2.49 112.325 -173.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 56.3 tttp . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.383 -0.599 . . . . 4.18 109.383 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -60.62 117.06 3.78 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.451 2.101 . . . . 2.07 111.513 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.56 ' CE1' ' HD3' ' A' ' 58' ' ' LYS . 43.5 m-85 -120.61 99.65 6.67 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 114.316 -1.311 . . . . 2.4 108.588 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.761 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -114.37 144.21 18.24 Favored Glycine 0 N--CA 1.432 -1.567 0 C-N-CA 119.505 -1.331 . . . . 1.34 114.283 -171.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 3.2 t -66.93 106.88 2.04 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.585 -1.307 . . . . 1.27 109.939 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.64 -6.94 8.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.49 0.662 . . . . 3.94 110.76 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.8 tt0 -84.62 -42.9 14.93 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.008 -0.996 . . . . 1.76 111.487 -176.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.4 p -127.9 -18.39 4.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.083 0.468 . . . . 1.32 110.732 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.05 28.51 13.39 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 115.803 -0.635 . . . . 1.31 114.334 169.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -104.92 124.59 49.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.08 0.44 . . . . 2.43 109.821 173.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.761 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 1.0 OUTLIER -97.51 143.03 28.63 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.538 0.685 . . . . 1.39 110.962 178.564 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.605 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 58.0 m-85 -123.0 147.35 46.74 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.723 -1.126 . . . . 1.33 110.332 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.54 ' HG3' HD22 ' A' ' 71' ' ' LEU . 24.2 ptt180 -76.21 -32.12 58.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.923 -0.581 . . . . 3.89 111.721 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.563 HD22 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -104.17 153.33 21.08 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 120.667 -0.413 . . . . 1.92 110.805 177.402 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 14.5 mm -64.89 -49.22 80.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.227 -0.442 . . . . 1.59 110.148 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 m -61.2 -27.66 68.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 1.77 111.132 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 2.2 mt -60.81 -56.59 19.34 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.686 0.755 . . . . 1.15 111.521 174.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.0 tp -70.94 -24.73 62.49 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 114.459 -1.246 . . . . 1.08 109.517 -178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.0 OUTLIER -69.08 -40.0 78.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.304 -1.316 . . . . 1.34 109.264 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.566 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -80.91 -19.89 43.34 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.641 -0.708 . . . . 0.64 110.654 178.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -66.94 -46.48 74.61 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.23 -0.895 . . . . 0.72 108.891 171.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 79' ' ' LYS . 15.3 ttmm -70.74 -38.65 73.54 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.409 -0.814 . . . . 2.06 109.608 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.804 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 27.0 ttmt -59.31 -37.99 79.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.633 -0.712 . . . . 0.85 110.351 173.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -66.21 -29.58 69.87 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.088 0.403 . . . . 3.88 112.088 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -67.53 -50.53 58.28 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.147 -0.346 . . . . 1.03 111.241 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m -92.75 15.17 15.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.019 0.438 . . . . 1.45 111.347 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.87 -47.48 3.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.849 -0.691 . . . . 0.67 112.017 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.804 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 1.1 pt-20 -155.01 149.8 26.64 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 108.905 -0.776 . . . . 2.0 108.905 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.729 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -98.64 91.14 4.99 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.243 0.544 . . . . 0.78 109.941 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.513 ' HG2' ' HG3' ' A' ' 85' ' ' GLU . 28.7 mmt180 -84.63 -90.69 0.09 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.444 -0.798 . . . . 2.3 111.507 -178.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.748 ' HB3' HD22 ' A' ' 103' ' ' LEU . 33.0 m-85 -86.22 149.96 24.72 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.778 -1.101 . . . . 0.83 109.664 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.623 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 39.5 ptt180 -125.77 148.47 49.09 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 120.113 -0.635 . . . . 3.33 109.643 169.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.633 ' HA ' ' OE1' ' A' ' 107' ' ' GLN . 46.9 t -55.61 120.8 7.81 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.588 -1.187 . . . . 0.91 108.392 173.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -67.51 6.34 0.64 Allowed 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.616 0.572 . . . . 1.6 111.32 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -120.97 -40.81 2.59 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.282 -0.417 . . . . 2.13 111.979 -178.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.3 p -131.35 -1.94 3.93 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 119.463 -0.895 . . . . 1.15 111.464 -171.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.39 38.25 39.2 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.746 -0.661 . . . . 1.01 113.755 171.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.63 ' HB3' ' CE1' ' A' ' 97' ' ' PHE . 5.5 mmtm -82.7 125.94 31.8 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 123.362 0.665 . . . . 1.97 110.293 172.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.619 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.7 mm? -91.71 125.82 36.57 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.948 0.404 . . . . 0.87 111.127 -175.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 95' ' ' LYS . 75.3 m-85 -126.03 146.99 49.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.433 -0.803 . . . . 0.62 110.278 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -96.06 10.19 38.34 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.705 0.764 . . . . 0.61 110.118 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.532 HG22 ' H ' ' A' ' 102' ' ' ASN . 37.4 m -146.68 128.85 15.66 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.744 -1.116 . . . . 0.79 108.718 177.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.47 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 19.6 p -68.62 -28.61 67.06 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.334 0.396 . . . . 0.74 111.304 -175.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.11 -35.66 37.78 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.464 -0.874 . . . . 0.71 112.683 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.532 ' H ' HG22 ' A' ' 99' ' ' THR . 96.4 m-20 -65.9 -37.26 85.63 Favored 'General case' 0 CA--C 1.49 -1.358 0 N-CA-C 107.885 -1.154 . . . . 1.4 107.885 173.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' A' ' 88' ' ' TYR . 12.4 tp -62.29 -52.27 64.38 Favored 'General case' 0 N--CA 1.418 -2.042 0 CA-C-N 113.476 -1.693 . . . . 0.54 108.899 177.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 38.2 ttpt -52.19 -44.53 64.76 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 114.097 -1.41 . . . . 2.27 111.539 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.576 ' O ' HG13 ' A' ' 109' ' ' VAL . 3.3 mmp_? -51.87 -47.04 64.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.004 0.43 . . . . 4.34 109.945 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.67 ' O ' HG22 ' A' ' 109' ' ' VAL . 74.2 t60 -71.87 -17.82 62.1 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.417 -0.811 . . . . 0.96 111.994 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.633 ' OE1' ' HA ' ' A' ' 90' ' ' CYS . 2.3 mm100 -84.57 -27.6 27.17 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.531 -1.285 . . . . 1.53 107.531 -178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -75.61 -36.26 60.32 Favored 'General case' 0 CA--C 1.484 -1.573 0 CA-C-N 113.37 -1.741 . . . . 1.18 109.949 -178.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.0 m -60.93 -23.9 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-O 121.011 0.434 . . . . 1.27 109.862 -175.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.476 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 75.4 m-70 -76.63 -7.23 54.84 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.682 -0.69 . . . . 1.32 112.301 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 t -157.71 27.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.046 0.927 . . . . 1.93 109.18 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-N 114.534 -1.212 . . . . 2.49 111.362 -174.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.598 0.237 . . . . 4.18 110.664 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.26 119.51 6.8 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.244 2.629 . . . . 2.07 111.508 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.694 ' HB3' HD22 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -125.03 170.2 11.39 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 114.124 -1.398 . . . . 2.4 107.735 177.392 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.615 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -157.84 152.76 23.99 Favored Glycine 0 N--CA 1.436 -1.353 0 C-N-CA 119.503 -1.332 . . . . 1.34 112.592 175.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.4 t -64.77 112.99 3.49 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.187 -0.507 . . . . 1.27 110.255 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.73 -14.16 19.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.677 0.751 . . . . 3.94 111.298 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -48.71 6.37 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.327 -0.851 . . . . 1.76 112.225 -175.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.427 ' SG ' ' HD3' ' A' ' 67' ' ' LYS . 26.6 p -116.29 -20.06 9.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.424 0.63 . . . . 1.32 109.639 -167.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.57 19.35 41.44 Favored Glycine 0 N--CA 1.437 -1.274 0 CA-C-N 114.987 -1.006 . . . . 1.31 114.448 166.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.427 ' HD3' ' SG ' ' A' ' 65' ' ' CYS . 4.0 mptp? -93.44 128.84 39.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.864 -0.421 . . . . 2.43 109.864 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.615 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -92.22 146.07 24.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.174 0.511 . . . . 1.39 111.676 -178.619 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 74' ' ' LEU . 43.7 m-85 -123.22 150.42 43.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.441 -0.8 . . . . 1.33 111.694 178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -73.11 -40.3 65.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.503 -1.226 . . . . 3.89 110.86 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.932 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 5.6 mp -105.19 148.05 27.34 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.096 -0.502 . . . . 1.92 110.668 -178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.645 HD12 ' CD2' ' A' ' 60' ' ' TYR . 12.3 mm -69.76 -41.35 79.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.59 -0.732 . . . . 1.59 109.372 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 19.3 m -67.81 -28.74 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.931 -0.577 . . . . 1.77 110.38 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.932 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.68 -49.68 74.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-O 121.386 0.612 . . . . 1.15 110.86 176.215 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 60' ' ' TYR . 12.6 tp -70.27 -30.46 67.49 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.137 -0.938 . . . . 1.08 109.879 176.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -65.42 -38.58 90.35 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.134 -0.939 . . . . 1.34 109.344 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.604 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -77.68 -21.03 52.68 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.041 -0.981 . . . . 0.64 110.386 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -76.36 -36.15 58.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.717 -0.674 . . . . 0.72 109.64 172.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 79' ' ' LYS . 2.7 tppp? -70.64 -36.82 73.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.245 -1.02 . . . . 2.06 108.245 177.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 1.033 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.4 ttmt -61.76 -45.32 94.4 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.526 -1.215 . . . . 0.85 110.467 171.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -57.91 -41.43 82.65 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.254 -0.43 . . . . 3.88 112.071 -176.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -71.82 -31.25 66.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.58 0.228 . . . . 1.03 111.56 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.1 m -101.37 13.37 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.899 0.38 . . . . 1.45 111.063 -174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.26 -58.2 5.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.67 111.32 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 1.033 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 7.6 pt-20 -161.04 143.68 12.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.035 -0.728 . . . . 2.0 109.035 175.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.508 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -90.36 94.6 9.81 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.086 0.469 . . . . 0.78 110.644 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.51 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.9 mmm180 -86.18 -84.35 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.932 0.872 . . . . 2.3 111.121 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.63 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.1 m-85 -92.35 157.04 16.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.397 -1.274 . . . . 0.83 109.941 178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.61 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 19.1 ptt180 -127.04 148.91 50.11 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 108.942 -0.762 . . . . 3.33 108.942 167.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.612 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 1.8 t -61.62 122.23 14.77 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.559 -1.2 . . . . 0.91 107.936 172.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.69 10.98 0.93 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.973 0.416 . . . . 1.6 111.018 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.493 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.8 p30 -120.18 -38.54 2.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.53 . . . . 2.13 111.471 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 p -130.48 2.34 4.57 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 120.042 -0.663 . . . . 1.15 110.331 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.57 32.73 84.3 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.147 -0.933 . . . . 1.01 114.296 173.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 41.7 mttm -81.61 134.7 35.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.968 0.384 . . . . 1.97 110.714 173.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.63 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -93.11 125.8 37.88 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.118 0.485 . . . . 0.87 110.815 -174.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.562 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 74.8 m-85 -125.59 141.41 52.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.288 -0.869 . . . . 0.62 109.93 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.51 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 73.1 p -83.85 -12.75 55.11 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.536 -0.756 . . . . 0.61 110.136 -177.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 102' ' ' ASN . 43.0 m -125.23 129.5 50.19 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 114.784 -1.098 . . . . 0.79 109.617 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.457 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 19.1 p -68.13 -27.12 66.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.084 -0.507 . . . . 0.74 111.24 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.406 ' H ' HG22 ' A' ' 99' ' ' THR . . . -78.68 -38.69 23.41 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.908 -0.663 . . . . 0.71 112.732 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.569 ' H ' HG22 ' A' ' 99' ' ' THR . 11.1 m120 -60.63 -40.38 91.72 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 107.736 -1.209 . . . . 1.4 107.736 172.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 88' ' ' TYR . 12.9 tp -60.79 -59.45 5.36 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 113.515 -1.675 . . . . 0.54 109.099 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.632 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -40.07 -54.2 2.3 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.028 1.331 . . . . 2.27 112.717 176.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.614 ' O ' HG13 ' A' ' 109' ' ' VAL . 48.3 mtt180 -49.73 -50.39 44.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.543 . . . . 4.34 110.637 175.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.612 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 68.3 t60 -66.69 -17.83 65.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.187 -0.915 . . . . 0.96 111.607 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.632 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 9.4 mt-30 -85.53 -30.8 23.12 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 107.501 -1.296 . . . . 1.53 107.501 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -76.68 -27.9 55.72 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-N 113.158 -1.837 . . . . 1.18 110.083 -176.393 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.614 HG13 ' O ' ' A' ' 105' ' ' ARG . 5.0 m -69.41 -17.27 21.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 C-N-CA 119.587 -0.845 . . . . 1.27 109.908 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.575 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 71.6 m-70 -83.99 -16.4 44.18 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.623 -0.717 . . . . 1.32 111.265 177.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 m -163.02 51.76 0.17 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.378 0.609 . . . . 1.93 109.896 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.74 -1.033 . . . . 2.49 112.119 -172.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.721 0.296 . . . . 4.18 111.171 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.34 117.64 4.67 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 122.846 2.364 . . . . 2.07 111.309 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' HB3' HD22 ' A' ' 75' ' ' LEU . 26.1 m-85 -119.69 103.57 9.5 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.561 -1.2 . . . . 2.4 109.224 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.787 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -112.59 145.76 18.15 Favored Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 119.361 -1.4 . . . . 1.34 113.945 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.553 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 45.7 t -61.01 137.51 58.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.666 -1.267 . . . . 1.27 111.496 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -74.41 -30.9 62.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.329 -0.851 . . . . 3.94 110.51 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -91.75 -34.98 14.39 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.601 -0.727 . . . . 1.76 112.897 -166.006 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.458 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 23.1 p -115.0 -29.64 6.62 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.854 -0.795 . . . . 1.32 108.854 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 91.51 18.56 44.72 Favored Glycine 0 N--CA 1.433 -1.526 0 CA-C-N 114.363 -1.29 . . . . 1.31 113.642 172.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -88.58 131.0 35.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.782 -0.451 . . . . 2.43 109.782 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.787 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -95.07 138.72 32.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.28 0.562 . . . . 1.39 112.214 -174.728 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.518 ' CD2' HD22 ' A' ' 74' ' ' LEU . 38.4 m-85 -114.89 -178.87 3.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.182 -0.917 . . . . 1.33 110.418 175.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -102.7 -40.47 6.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.141 -0.481 . . . . 3.89 110.969 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 3.6 mp -101.03 151.0 22.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.219 -0.446 . . . . 1.92 110.729 -178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.559 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 18.5 mm -64.94 -46.9 90.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.601 -0.518 . . . . 1.59 109.601 174.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.431 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 14.6 m -62.55 -34.38 76.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.294 -0.412 . . . . 1.77 110.641 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.9 mt -56.21 -54.78 41.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.972 0.891 . . . . 1.15 111.546 174.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 60' ' ' TYR . 8.5 tp -72.08 -24.41 61.5 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.157 -1.383 . . . . 1.08 110.002 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -72.03 -37.13 69.81 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.577 -1.192 . . . . 1.34 109.36 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.524 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.4 mm? -80.21 -21.93 42.37 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.347 -0.842 . . . . 0.64 109.904 177.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.557 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 41.2 t60 -67.92 -42.53 80.94 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.25 -0.886 . . . . 0.72 109.188 170.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.83 ' HD2' HD23 ' A' ' 96' ' ' LEU . 36.1 ttmt -69.97 -38.26 76.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.247 -0.888 . . . . 2.06 108.993 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.944 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 24.9 ttmt -62.55 -36.3 82.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.202 -0.908 . . . . 0.85 110.797 172.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -65.97 -34.63 78.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.816 0.302 . . . . 3.88 111.816 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 83.3 m-70 -72.64 -47.47 47.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.738 0.304 . . . . 1.03 111.125 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.404 ' HB2' HG23 ' A' ' 98' ' ' THR . 63.1 p -73.82 -18.06 61.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.092 0.472 . . . . 1.45 110.61 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.89 -48.02 0.99 Allowed Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 109.862 -1.295 . . . . 0.67 109.862 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.944 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 9.2 pt-20 -161.33 140.93 10.42 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 109.008 -0.738 . . . . 2.0 109.008 172.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.582 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -81.97 93.26 6.91 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.379 0.609 . . . . 0.78 110.703 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 46.8 mmm-85 -83.65 -91.6 0.08 Allowed 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.207 -0.906 . . . . 2.3 111.519 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.645 ' HB3' HD22 ' A' ' 103' ' ' LEU . 18.8 m-85 -86.93 154.98 20.4 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.277 -1.329 . . . . 0.83 109.837 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 21.8 ptt180 -126.58 154.17 44.28 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.623 0.725 . . . . 3.33 109.52 169.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.428 ' HB3' ' H ' ' A' ' 95' ' ' LYS . 43.7 t -66.92 113.22 4.78 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 114.622 -1.172 . . . . 0.91 108.401 169.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.52 1.41 1.2 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.155 0.502 . . . . 1.6 111.033 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 90' ' ' CYS . 12.0 t70 -104.36 -46.24 4.45 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.226 -0.443 . . . . 2.13 110.113 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.693 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 8.6 p -129.45 -2.92 4.9 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 118.911 -1.116 . . . . 1.15 111.669 -174.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 74.02 39.71 45.13 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.511 -0.768 . . . . 1.01 114.165 167.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.693 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 56.9 mttt -91.28 136.63 32.97 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.183 -0.673 . . . . 1.97 109.183 173.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.83 HD23 ' HD2' ' A' ' 79' ' ' LYS . 3.5 mm? -96.94 122.57 40.07 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.011 0.434 . . . . 0.87 111.221 -172.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 78.5 m-85 -118.82 137.42 53.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.578 -0.737 . . . . 0.62 110.175 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 85' ' ' GLU . 49.0 p -79.1 -4.73 51.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.733 0.778 . . . . 0.61 110.134 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.47 HG22 ' H ' ' A' ' 101' ' ' GLY . 86.0 m -135.56 129.77 33.49 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.461 -1.245 . . . . 0.79 109.465 -175.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 59.9 p -71.56 -23.54 61.77 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.167 -0.308 . . . . 0.74 110.167 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 99' ' ' THR . . . -76.24 -43.47 20.66 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.1 -0.571 . . . . 0.71 112.44 174.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.97 -37.19 81.54 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.199 -1.037 . . . . 1.4 108.199 173.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 88' ' ' TYR . 17.8 tp -64.72 -51.91 59.88 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 113.695 -1.593 . . . . 0.54 108.998 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.616 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 40.5 ttmt -49.84 -49.78 47.8 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.59 -1.186 . . . . 2.27 111.572 179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.522 ' O ' HG13 ' A' ' 109' ' ' VAL . 19.4 mmm180 -51.08 -44.2 61.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.444 0.64 . . . . 4.34 110.404 175.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.656 ' CE1' ' HD2' ' A' ' 95' ' ' LYS . 71.2 t60 -76.48 -15.65 59.85 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.92 -1.037 . . . . 0.96 111.411 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.616 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.4 mm-40 -85.39 -27.89 25.51 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.816 -1.55 . . . . 1.53 106.816 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.639 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -80.45 -13.7 58.9 Favored 'General case' 0 CA--C 1.496 -1.11 0 CA-C-N 113.315 -1.766 . . . . 1.18 110.858 -176.47 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 106' ' ' HIS . 7.0 m -83.66 -17.62 10.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 C-N-CA 119.782 -0.767 . . . . 1.27 109.496 174.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.411 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 60.4 m-70 -94.09 -5.99 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.434 -0.803 . . . . 1.32 110.434 176.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.5 t -153.29 43.08 0.6 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.823 0.821 . . . . 1.93 108.838 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.639 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.785 -1.009 . . . . 2.49 111.693 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 58' ' ' LYS . 42.8 mtpt . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.343 0.116 . . . . 4.18 110.704 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -56.57 118.73 5.61 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.852 2.368 . . . . 2.07 110.951 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -106.12 102.24 11.67 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.117 -1.401 . . . . 2.4 108.568 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.82 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -115.5 150.28 18.7 Favored Glycine 0 N--CA 1.425 -2.04 0 C-N-CA 119.131 -1.509 . . . . 1.34 114.905 -167.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -71.94 103.7 3.28 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 113.08 -1.56 . . . . 1.27 109.637 177.608 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.48 -6.58 11.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.038 0.923 . . . . 3.94 109.999 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -38.14 13.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.533 -1.212 . . . . 1.76 112.354 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 11.9 p -127.17 -18.58 4.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.217 0.532 . . . . 1.32 110.679 -174.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.79 26.62 19.23 Favored Glycine 0 N--CA 1.436 -1.364 0 CA-C-N 115.558 -0.747 . . . . 1.31 114.055 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -110.89 130.39 55.59 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.868 -0.419 . . . . 2.43 109.868 174.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.82 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -104.99 143.52 33.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.051 0.453 . . . . 1.39 111.482 -176.79 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.527 ' CD2' HD22 ' A' ' 74' ' ' LEU . 31.3 m-85 -113.59 168.92 9.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.403 -0.817 . . . . 1.33 111.943 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' C ' HD13 ' A' ' 71' ' ' LEU . 25.0 ttt180 -83.94 -41.97 16.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.14 -0.936 . . . . 3.89 110.761 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.629 HD22 HD12 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -111.99 164.59 12.95 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.613 -0.267 . . . . 1.92 110.654 179.743 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 15.6 mm -71.08 -42.9 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 109.52 -0.548 . . . . 1.59 109.52 174.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -61.82 -34.94 76.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.101 -0.5 . . . . 1.77 110.506 177.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.629 HD12 HD22 ' A' ' 71' ' ' LEU . 1.7 mt -57.18 -54.68 44.08 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.694 0.759 . . . . 1.15 111.324 175.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.2 tp -72.14 -24.13 61.41 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.713 -1.13 . . . . 1.08 109.623 -178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.2 t-20 -68.01 -37.44 81.44 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.698 -1.137 . . . . 1.34 108.959 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.66 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 1.5 mm? -78.89 -29.79 44.56 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 115.308 -0.86 . . . . 0.64 110.217 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.445 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 67.2 t60 -66.58 -37.76 85.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.537 0.684 . . . . 0.72 109.358 172.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.571 ' HG3' HD23 ' A' ' 96' ' ' LEU . 17.0 tppt? -73.35 -33.41 65.07 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.332 -0.849 . . . . 2.06 109.091 178.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.997 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 33.0 ttmt -67.59 -31.86 72.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.346 -0.843 . . . . 0.85 110.134 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 33.0 mmt180 -59.95 -49.32 78.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.9 0.381 . . . . 3.88 111.301 176.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.445 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 91.7 m-70 -65.59 -33.04 74.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.159 -0.473 . . . . 1.03 111.797 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.7 p -95.02 1.76 55.2 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.99 0.424 . . . . 1.45 111.638 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.86 -54.74 4.98 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.364 -1.094 . . . . 0.67 110.364 -172.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.997 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 11.3 pt-20 -159.68 145.13 15.61 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.602 -0.888 . . . . 2.0 108.602 169.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.766 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -82.58 94.09 7.44 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.81 -0.632 . . . . 0.78 111.144 -176.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.716 ' HG3' ' HA ' ' A' ' 98' ' ' THR . 22.5 mmm-85 -93.27 -86.39 0.26 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.384 -0.825 . . . . 2.3 111.079 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.691 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 5.2 m-85 -94.7 147.37 23.39 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.339 -0.846 . . . . 0.83 110.287 178.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.757 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 14.4 mtt180 -108.8 154.39 22.14 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.869 0.842 . . . . 3.33 109.359 170.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.554 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 3.3 t -75.76 116.18 16.21 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 106.893 -1.521 . . . . 0.91 106.893 168.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.23 0.03 0.2 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.286 0.476 . . . . 1.6 112.286 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.485 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.3 p30 -113.02 -40.88 3.84 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 111.495 0.183 . . . . 2.13 111.495 -178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.619 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.2 p -130.43 2.54 4.61 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 119.873 -0.731 . . . . 1.15 110.996 -170.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.39 39.07 94.33 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.09 -0.959 . . . . 1.01 114.586 173.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.674 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 38.5 mtpt -80.11 145.78 32.22 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 109.024 -0.732 . . . . 1.97 109.024 169.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.757 ' CD1' ' HG3' ' A' ' 89' ' ' ARG . 3.9 mm? -103.3 118.56 37.04 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.438 0.637 . . . . 0.87 110.713 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.569 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 89.9 m-85 -116.63 139.87 50.04 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.152 -0.931 . . . . 0.62 109.981 177.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.716 ' HA ' ' HG3' ' A' ' 87' ' ' ARG . 71.2 p -88.76 11.38 17.88 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.872 0.844 . . . . 0.61 110.549 -175.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.57 HG22 ' H ' ' A' ' 102' ' ' ASN . 6.6 m -155.31 130.34 9.43 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 114.824 -1.08 . . . . 0.79 108.667 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.466 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 72.4 p -65.8 -25.95 67.47 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.3 -0.409 . . . . 0.74 110.732 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.62 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -71.87 -47.51 32.0 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.948 -0.644 . . . . 0.71 112.155 174.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.57 ' H ' HG22 ' A' ' 99' ' ' THR . 13.4 m120 -55.42 -40.28 71.3 Favored 'General case' 0 CA--C 1.494 -1.2 0 N-CA-C 108.419 -0.956 . . . . 1.4 108.419 173.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 88' ' ' TYR . 20.6 tp -64.72 -51.93 59.8 Favored 'General case' 0 N--CA 1.421 -1.903 0 CA-C-N 113.75 -1.568 . . . . 0.54 109.311 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.617 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 41.4 ttmt -52.46 -48.26 65.96 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.418 -1.264 . . . . 2.27 111.775 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 43.5 mtm180 -56.2 -38.93 71.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.418 0.628 . . . . 4.34 109.98 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.713 ' O ' HG22 ' A' ' 109' ' ' VAL . 79.4 t60 -76.94 -18.59 58.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.343 -0.844 . . . . 0.96 111.236 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.617 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.8 mm-40 -81.44 -27.49 34.65 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 106.552 -1.647 . . . . 1.53 106.552 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.668 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -83.14 -8.43 59.51 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 112.907 -1.951 . . . . 1.18 111.335 -175.262 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -87.06 -21.09 7.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 119.676 -0.809 . . . . 1.27 108.931 172.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.532 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 73.6 m-70 -84.21 -15.88 45.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.289 -0.869 . . . . 1.32 109.791 175.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 p -153.13 57.51 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.22 -0.9 . . . . 1.93 109.917 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.668 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.281 -1.288 . . . . 2.49 112.077 -176.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 110.034 -0.358 . . . . 4.18 110.034 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.98 119.43 6.42 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.213 2.609 . . . . 2.07 112.061 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.423 ' HB3' HD22 ' A' ' 75' ' ' LEU . 28.6 m-85 -93.12 97.33 10.61 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.524 -1.216 . . . . 2.4 108.319 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.685 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -117.98 143.57 17.77 Favored Glycine 0 N--CA 1.434 -1.459 0 C-N-CA 119.693 -1.241 . . . . 1.34 114.519 -169.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.531 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 3.1 t -69.8 104.05 2.35 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.451 -1.375 . . . . 1.27 109.871 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.06 0.75 5.53 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.625 0.726 . . . . 3.94 110.872 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.531 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 2.3 tt0 -81.86 -46.99 13.36 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.947 -1.024 . . . . 1.76 110.736 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.13 -16.53 6.95 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.546 0.689 . . . . 1.32 110.242 -171.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.97 29.06 12.15 Favored Glycine 0 N--CA 1.435 -1.408 0 CA-C-N 115.105 -0.952 . . . . 1.31 113.921 169.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -110.26 128.98 55.8 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.959 -0.385 . . . . 2.43 109.959 176.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.685 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -105.04 138.7 40.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.086 0.47 . . . . 1.39 111.072 -179.323 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 61.3 m-85 -115.65 158.17 23.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.786 -0.643 . . . . 1.33 111.501 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -74.34 -40.56 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.048 -0.978 . . . . 3.89 110.825 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 8.3 mp -108.79 154.99 21.28 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.846 -0.615 . . . . 1.92 111.697 -175.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 21.3 mm -66.59 -42.53 90.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 114.92 -1.036 . . . . 1.59 109.766 171.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 12.9 m -66.74 -32.2 73.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.12 0.486 . . . . 1.77 110.407 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.8 mt -59.63 -54.46 46.14 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.711 0.767 . . . . 1.15 111.249 174.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.9 tp -71.35 -24.08 62.03 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.482 -1.235 . . . . 1.08 109.686 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -67.63 -41.8 83.3 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.504 -1.225 . . . . 1.34 109.354 176.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.7 mm? -78.07 -19.72 53.7 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.235 -0.893 . . . . 0.64 110.286 179.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -68.97 -44.7 72.37 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.086 -0.709 . . . . 0.72 109.086 169.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HD2' HD23 ' A' ' 96' ' ' LEU . 36.4 ttmt -68.66 -40.28 80.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.902 -1.044 . . . . 2.06 108.913 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.783 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.2 ttmt -64.91 -34.83 79.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.017 -0.992 . . . . 0.85 110.768 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -62.42 -38.07 88.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.671 -0.241 . . . . 3.88 111.461 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -61.33 -39.04 89.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 1.03 112.126 -176.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p -105.16 17.6 23.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.928 0.394 . . . . 1.45 111.317 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.42 -55.6 4.97 Favored Glycine 0 CA--C 1.507 -0.423 0 N-CA-C 111.402 -0.679 . . . . 0.67 111.402 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 1.068 ' HG3' ' HE ' ' A' ' 87' ' ' ARG . 1.3 pm0 -140.05 -170.35 2.94 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.569 -0.9 . . . . 2.0 108.569 172.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.503 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -144.85 99.13 3.29 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.532 -0.544 . . . . 0.78 109.532 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 1.068 ' HE ' ' HG3' ' A' ' 85' ' ' GLU . 16.2 mmt85 -92.07 -82.01 0.32 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.458 -0.792 . . . . 2.3 111.137 -170.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 24.5 m-85 -88.87 156.42 18.94 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.709 -1.132 . . . . 0.83 109.659 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 23.4 ptt180 -127.0 152.55 47.07 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 108.268 -1.012 . . . . 3.33 108.268 167.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.666 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 0.5 OUTLIER -68.97 112.79 5.84 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 107.247 -1.39 . . . . 0.91 107.247 170.01 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.81 9.34 0.19 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.611 0.641 . . . . 1.6 111.99 -176.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.482 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.5 p30 -117.76 -35.17 3.99 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.14 -0.482 . . . . 2.13 111.291 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.6 p -130.04 -0.44 4.69 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-O 121.585 0.707 . . . . 1.15 110.441 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.75 34.88 84.28 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 114.915 -1.039 . . . . 1.01 114.377 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 42.4 mttp -82.48 131.33 35.22 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 110.275 -0.268 . . . . 1.97 110.275 170.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.592 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.2 mm? -92.1 123.88 35.78 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.249 0.547 . . . . 0.87 110.426 -176.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.566 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 56.9 m-85 -121.44 137.07 54.87 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.473 -0.785 . . . . 0.62 110.01 176.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.456 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 73.0 p -87.38 -5.35 58.9 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.334 -0.848 . . . . 0.61 110.107 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 102' ' ' ASN . 53.8 m -126.61 128.25 46.5 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.575 -1.193 . . . . 0.79 108.516 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 51.4 p -71.83 -24.65 61.74 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.52 -0.309 . . . . 0.74 110.522 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.499 ' HA2' ' HB3' ' A' ' 104' ' ' LYS . . . -75.42 -38.87 37.31 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.68 -0.771 . . . . 0.71 112.402 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.529 ' H ' HG22 ' A' ' 99' ' ' THR . 12.1 m120 -60.82 -40.38 92.54 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 107.932 -1.136 . . . . 1.4 107.932 172.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.583 HD22 ' CB ' ' A' ' 88' ' ' TYR . 15.8 tp -63.5 -55.69 22.02 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 113.538 -1.665 . . . . 0.54 109.555 178.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.564 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 27.6 ttmt -47.14 -51.62 17.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.406 -1.27 . . . . 2.27 112.708 179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.47 ' O ' HG13 ' A' ' 109' ' ' VAL . 49.8 mtt180 -57.0 -38.83 73.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.5 0.667 . . . . 4.34 110.007 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.666 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 56.4 t60 -75.54 -16.34 60.28 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.959 -1.019 . . . . 0.96 111.168 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.564 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.7 mm-40 -85.71 -27.21 25.45 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.204 -1.406 . . . . 1.53 107.204 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.62 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -82.07 -11.4 58.81 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 113.306 -1.77 . . . . 1.18 111.133 -176.117 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.663 HG22 ' O ' ' A' ' 106' ' ' HIS . 10.2 m -82.88 -20.99 9.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 C-N-CA 119.811 -0.756 . . . . 1.27 108.966 173.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.509 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 65.7 m-70 -84.98 -11.87 54.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.507 -0.769 . . . . 1.32 110.331 176.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.1 t -156.24 53.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.715 . . . . 1.93 109.068 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.62 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.732 -1.038 . . . . 2.49 111.836 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.156 -0.313 . . . . 4.18 110.156 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -80.97 117.41 3.24 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.499 2.133 . . . . 2.07 112.713 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -124.96 91.03 3.35 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.488 -1.233 . . . . 2.4 107.771 171.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.957 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -109.46 147.41 16.99 Favored Glycine 0 N--CA 1.432 -1.61 0 C-N-CA 119.862 -1.161 . . . . 1.34 113.766 -169.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.65 112.31 6.05 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 113.961 -1.12 . . . . 1.27 109.478 177.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.3 -1.11 16.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.172 0.51 . . . . 3.94 111.933 -177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.42 -40.69 9.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.128 0.418 . . . . 1.76 112.128 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 p -121.81 -0.56 9.58 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.018 0.913 . . . . 1.32 109.226 -171.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.74 36.7 92.63 Favored Glycine 0 N--CA 1.436 -1.351 0 CA-C-N 113.903 -1.499 . . . . 1.31 113.394 173.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -110.85 109.61 19.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.81 -0.441 . . . . 2.43 109.81 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.957 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -88.49 143.73 26.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.195 0.521 . . . . 1.39 110.601 -178.482 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.596 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 34.8 m-85 -120.59 166.02 14.22 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.511 -0.768 . . . . 1.33 110.994 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.491 ' C ' HD13 ' A' ' 71' ' ' LEU . 21.6 mmm180 -80.89 -41.16 23.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.769 -0.651 . . . . 3.89 111.256 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -112.07 161.54 16.38 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 121.101 -0.24 . . . . 1.92 110.385 -179.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.461 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 9.2 mm -68.48 -42.5 83.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.456 -0.572 . . . . 1.59 109.456 174.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 77' ' ' LEU . 8.9 m -62.05 -35.73 79.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.082 0.467 . . . . 1.77 110.653 177.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 71' ' ' LEU . 1.6 mt -56.1 -55.48 32.46 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.671 0.748 . . . . 1.15 111.35 174.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.3 tp -69.26 -25.81 64.46 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 114.547 -1.206 . . . . 1.08 109.904 -178.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -70.49 -36.71 73.99 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.837 -1.074 . . . . 1.34 109.098 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.579 HD13 ' HD2' ' A' ' 80' ' ' LYS . 1.9 mm? -80.6 -19.95 44.36 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.026 -0.988 . . . . 0.64 110.044 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -70.05 -43.09 71.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 0.72 109.466 169.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -70.4 -34.74 72.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.325 -0.852 . . . . 2.06 109.058 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.844 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 27.7 ttmt -66.07 -38.74 89.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.863 -1.062 . . . . 0.85 110.059 171.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -59.96 -40.96 90.84 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.145 -0.479 . . . . 3.88 111.587 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -57.32 -41.86 80.73 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.886 0.374 . . . . 1.03 111.432 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -95.72 9.36 40.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.133 0.492 . . . . 1.45 110.504 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.88 -58.24 4.92 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.61 -0.996 . . . . 0.67 110.61 -172.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.844 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.0 pm0 -142.15 161.3 38.36 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 108.671 -0.863 . . . . 2.0 108.671 171.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.744 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -114.97 92.85 4.07 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.248 0.547 . . . . 0.78 109.638 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.666 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 30.2 mmm180 -88.02 -92.43 0.11 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.225 -0.898 . . . . 2.3 111.469 -174.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 19.8 m-85 -87.38 159.67 18.64 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.288 -0.869 . . . . 0.83 110.052 178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 27.2 ptt-85 -126.53 151.71 47.5 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 108.235 -1.024 . . . . 3.33 108.235 166.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.622 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 0.8 OUTLIER -65.14 115.45 5.5 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 107.63 -1.248 . . . . 0.91 107.63 172.362 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.87 12.95 0.11 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.908 0.385 . . . . 1.6 111.702 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.498 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.6 p30 -120.54 -37.54 3.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.232 -0.44 . . . . 2.13 111.579 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.455 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.9 p -131.23 4.43 4.38 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.401 0.619 . . . . 1.15 111.027 -173.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.88 34.46 82.96 Favored Glycine 0 C--N 1.333 0.386 0 CA-C-N 115.039 -0.982 . . . . 1.01 114.458 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 49.1 mttp -85.58 129.69 34.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.264 -0.273 . . . . 1.97 110.264 173.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.62 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.4 mm? -87.37 121.2 29.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.195 0.521 . . . . 0.87 110.77 -176.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.584 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 66.1 m-85 -119.18 129.54 55.04 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.446 -0.797 . . . . 0.62 110.089 176.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.666 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 39.9 p -72.44 -12.78 61.24 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.655 -1.157 . . . . 0.61 110.897 -176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.673 HG22 ' H ' ' A' ' 102' ' ' ASN . 8.7 m -131.34 129.42 41.38 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 114.992 -1.004 . . . . 0.79 108.917 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 22.5 p -68.26 -29.05 67.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.294 -0.412 . . . . 0.74 110.879 -176.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -70.29 -40.84 69.74 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.963 -0.637 . . . . 0.71 112.468 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.673 ' H ' HG22 ' A' ' 99' ' ' THR . 96.3 m-20 -62.98 -39.02 93.46 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.41 -0.959 . . . . 1.4 108.41 173.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 97' ' ' PHE . 12.4 tp -62.5 -52.18 64.49 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 113.935 -1.484 . . . . 0.54 109.203 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.575 ' O ' HD13 ' A' ' 108' ' ' LEU . 53.5 mttm -48.19 -49.64 32.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.556 -1.202 . . . . 2.27 112.037 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.531 ' O ' HG13 ' A' ' 109' ' ' VAL . 26.3 mmm180 -54.99 -42.97 73.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.1 0.476 . . . . 4.34 110.046 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.654 ' O ' HG22 ' A' ' 109' ' ' VAL . 65.9 t60 -73.73 -16.53 61.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.458 -0.792 . . . . 0.96 111.291 178.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.559 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 3.9 mm-40 -83.85 -30.59 26.35 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.507 -1.294 . . . . 1.53 107.507 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -78.18 -22.21 48.99 Favored 'General case' 0 C--O 1.205 -1.271 0 CA-C-N 113.436 -1.711 . . . . 1.18 110.515 -175.243 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.9 m -72.39 -21.19 20.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 C-N-CA 119.71 -0.796 . . . . 1.27 109.602 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.524 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 68.0 m-70 -83.34 -16.19 47.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.642 -0.708 . . . . 1.32 111.203 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.7 m -150.49 40.24 0.75 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.56 0.695 . . . . 1.93 109.892 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.499 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.307 -1.274 . . . . 2.49 111.946 -172.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 59' ' ' PRO . 40.2 ttmt . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.254 -0.276 . . . . 4.18 110.254 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.4 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 61.0 Cg_endo -71.83 159.21 51.19 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 122.875 2.383 . . . . 2.07 110.881 172.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.417 ' CE2' HG12 ' A' ' 72' ' ' ILE . 64.3 m-85 -125.39 96.3 4.77 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 114.278 -1.328 . . . . 2.4 108.848 -175.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 1.0 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -105.95 145.02 15.88 Favored Glycine 0 N--CA 1.428 -1.888 0 C-N-CA 119.915 -1.136 . . . . 1.34 113.597 -169.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.465 ' C ' ' H ' ' A' ' 64' ' ' GLU . 3.6 t -71.37 100.07 2.09 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 113.962 -1.119 . . . . 1.27 109.314 176.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -69.93 3.41 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.866 0.841 . . . . 3.94 110.444 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 62' ' ' CYS . 1.1 tt0 -90.46 -43.07 10.51 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.39 -1.277 . . . . 1.76 111.446 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.5 p -122.48 -19.12 6.48 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.581 0.705 . . . . 1.32 110.05 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.88 28.43 12.15 Favored Glycine 0 N--CA 1.429 -1.785 0 CA-C-N 114.974 -1.012 . . . . 1.31 113.637 173.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.57 123.86 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.776 -0.453 . . . . 2.43 109.776 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 1.0 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -99.82 145.82 27.3 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.378 -0.529 . . . . 1.39 110.76 -178.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 30.0 m-85 -117.81 160.1 21.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.847 -0.615 . . . . 1.33 111.822 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . 2.9 tpm_? -73.14 -38.14 66.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.057 -0.974 . . . . 3.89 110.964 -176.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.603 ' HG ' HD12 ' A' ' 74' ' ' LEU . 17.6 mt -120.3 168.21 11.5 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.153 0.501 . . . . 1.92 111.177 -175.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.5 mm -70.09 -53.02 25.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.304 -0.862 . . . . 1.59 110.157 175.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 m -60.44 -30.23 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.236 0.541 . . . . 1.77 110.541 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.603 HD12 ' HG ' ' A' ' 71' ' ' LEU . 3.2 mt -59.59 -55.3 36.26 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.589 -0.732 . . . . 1.15 111.949 174.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 7.4 tp -72.27 -24.55 61.37 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.201 -0.909 . . . . 1.08 109.27 -179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.1 t-20 -67.37 -38.92 85.52 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.778 -1.101 . . . . 1.34 109.138 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 3.0 mm? -79.99 -19.53 47.59 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.203 -0.908 . . . . 0.64 110.417 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -72.6 -41.22 65.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.65 -0.704 . . . . 0.72 109.369 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -70.09 -40.48 74.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.731 -0.84 . . . . 2.06 108.731 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 1.066 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 30.9 ttmt -65.85 -22.78 66.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.503 -1.226 . . . . 0.85 110.618 174.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -75.39 -24.87 57.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 3.88 111.506 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -82.31 -51.13 8.2 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.431 0.53 . . . . 1.03 112.431 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.4 t -104.33 30.95 4.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.932 0.396 . . . . 1.45 111.53 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.15 -53.72 4.79 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.173 -0.771 . . . . 0.67 111.173 -178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 1.066 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 7.8 pt-20 -165.65 145.97 6.76 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.069 0.462 . . . . 2.0 109.795 172.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.82 99.46 12.46 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.732 0.777 . . . . 0.78 110.646 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.858 ' HD2' ' HA ' ' A' ' 98' ' ' THR . 97.7 mtt180 -89.26 -96.76 0.1 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.645 -1.162 . . . . 2.3 112.879 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.678 ' HB3' HD22 ' A' ' 103' ' ' LEU . 40.5 m-85 -83.68 151.85 25.05 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 113.416 -1.72 . . . . 0.83 109.936 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 36.5 ptt180 -123.48 152.58 41.54 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 120.05 -0.66 . . . . 3.33 109.466 166.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.43 ' HB3' ' H ' ' A' ' 95' ' ' LYS . 41.9 t -58.18 116.59 3.66 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.789 -1.189 . . . . 0.91 107.789 170.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.402 ' H ' ' HG2' ' A' ' 91' ' ' GLU . 8.8 pt-20 -76.48 16.2 0.51 Allowed 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.272 0.558 . . . . 1.6 110.27 -176.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 90' ' ' CYS . 3.0 t70 -120.76 -39.17 2.76 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.743 -0.662 . . . . 2.13 111.018 175.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.702 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 14.7 p -125.79 -19.07 4.98 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 119.23 -0.988 . . . . 1.15 111.607 -177.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 90' ' ' CYS . . . 93.22 34.77 6.57 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 114.381 0.512 . . . . 1.01 114.381 169.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.702 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 65.5 mttt -87.01 134.24 33.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.085 -0.339 . . . . 1.97 110.085 174.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.647 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -88.11 123.03 32.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.153 0.501 . . . . 0.87 110.734 -176.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.527 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 81.3 m-85 -118.29 143.21 46.76 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.379 -0.828 . . . . 0.62 110.212 175.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.858 ' HA ' ' HD2' ' A' ' 87' ' ' ARG . 42.8 p -89.02 -11.69 43.47 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.067 -0.969 . . . . 0.61 110.091 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 102' ' ' ASN . 53.6 m -120.71 127.78 52.34 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.093 -0.958 . . . . 0.79 108.906 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 104' ' ' LYS . 18.6 p -72.22 -23.75 61.28 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.445 -0.343 . . . . 0.74 110.489 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.663 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -73.43 -42.3 41.87 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.734 -0.746 . . . . 0.71 112.602 174.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.557 ' H ' HG22 ' A' ' 99' ' ' THR . 36.4 m-80 -63.0 -34.54 77.78 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.176 -1.046 . . . . 1.4 108.176 173.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.678 HD22 ' HB3' ' A' ' 88' ' ' TYR . 10.9 tp -66.96 -52.67 39.96 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-N 114.333 -1.303 . . . . 0.54 109.928 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 101' ' ' GLY . 36.4 pttt -58.54 -42.06 86.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.336 -1.302 . . . . 2.27 111.593 -175.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.663 ' HG3' ' O ' ' A' ' 101' ' ' GLY . 42.6 mtm180 -63.2 -35.73 81.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 4.34 109.583 176.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.658 ' CE1' ' HD2' ' A' ' 95' ' ' LYS . 58.5 t60 -73.32 -17.78 61.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.634 -1.166 . . . . 0.96 111.256 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 12.7 mm-40 -85.28 -27.58 25.89 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.778 -1.193 . . . . 1.53 107.778 178.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.607 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -82.97 -13.16 56.52 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 113.358 -1.746 . . . . 1.18 111.019 -175.757 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 106' ' ' HIS . 11.3 m -81.08 -19.47 11.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 N-CA-C 108.79 -0.818 . . . . 1.27 108.79 173.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -86.45 -12.23 49.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.361 -0.836 . . . . 1.32 110.677 176.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.6 p -153.18 47.61 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.574 0.702 . . . . 1.93 109.84 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.607 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.659 -1.078 . . . . 2.49 112.178 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.609 ' HD2' ' HD2' ' A' ' 59' ' ' PRO . 24.2 tptm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.038 -0.356 . . . . 4.18 110.038 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.609 ' HD2' ' HD2' ' A' ' 58' ' ' LYS . 86.9 Cg_endo -82.08 119.23 3.13 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.947 2.431 . . . . 2.07 112.83 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.501 ' HB3' HD22 ' A' ' 75' ' ' LEU . 45.0 m-85 -123.3 100.86 7.05 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.456 -1.247 . . . . 2.4 108.49 171.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.71 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -114.13 144.66 18.33 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 119.983 -1.103 . . . . 1.34 113.471 -171.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.2 t -60.42 124.84 21.55 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.226 -0.987 . . . . 1.27 109.911 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.78 -11.1 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.481 0.658 . . . . 3.94 110.25 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.421 ' OE2' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -92.17 -40.35 11.06 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.402 -0.817 . . . . 1.76 112.128 -172.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.421 ' HB3' ' OE2' ' A' ' 64' ' ' GLU . 18.3 p -118.19 -25.67 6.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.868 0.842 . . . . 1.32 109.665 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.85 20.9 35.22 Favored Glycine 0 N--CA 1.429 -1.796 0 CA-C-N 114.593 -1.185 . . . . 1.31 113.366 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.74 122.54 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.799 -0.445 . . . . 2.43 109.799 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.71 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -91.29 142.18 27.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 1.39 111.646 -177.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.531 ' CD2' HD22 ' A' ' 74' ' ' LEU . 54.4 m-85 -123.34 161.48 24.59 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.528 -0.76 . . . . 1.33 110.268 175.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.05 -36.08 17.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.768 -0.651 . . . . 3.89 110.271 -177.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 2.7 mp -102.37 150.92 22.86 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.619 -0.719 . . . . 1.92 110.683 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 10.7 mm -65.57 -46.95 88.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.144 -0.48 . . . . 1.59 110.121 174.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.432 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 54.9 m -65.97 -27.87 68.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 1.77 110.64 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 2.0 mt -60.02 -54.7 42.87 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.711 0.767 . . . . 1.15 111.309 174.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 60' ' ' TYR . 11.5 tp -69.64 -27.25 64.9 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.46 -1.245 . . . . 1.08 109.976 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.7 OUTLIER -69.49 -37.75 77.36 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.499 -1.228 . . . . 1.34 108.967 179.419 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.705 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 0.7 OUTLIER -76.99 -28.84 55.24 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 115.134 -0.939 . . . . 0.64 110.021 177.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 81' ' ' ARG . 48.4 t60 -61.47 -41.76 97.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.72 109.745 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.77 ' HG2' HD23 ' A' ' 96' ' ' LEU . 1.2 tppp? -71.45 -26.57 62.78 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.63 -0.878 . . . . 2.06 108.63 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.763 ' HE2' ' H ' ' A' ' 86' ' ' ALA . 32.0 ttmt -70.38 -38.92 74.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.223 -0.898 . . . . 0.85 110.086 171.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 77' ' ' LEU . 38.0 mmt180 -54.41 -47.45 72.76 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.845 0.355 . . . . 3.88 111.411 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -62.99 -22.13 66.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.642 -0.708 . . . . 1.03 112.777 -173.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.5 m -117.01 12.2 14.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.032 0.444 . . . . 1.45 110.663 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.71 -53.96 4.35 Favored Glycine 0 N--CA 1.453 -0.206 0 N-CA-C 111.405 -0.678 . . . . 0.67 111.405 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.581 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 2.3 pt-20 -135.01 169.17 17.83 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 107.544 -1.28 . . . . 2.0 107.544 176.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.763 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -124.0 101.07 7.04 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.524 -0.547 . . . . 0.78 109.524 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.596 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.3 mmm180 -90.16 -80.71 0.31 Allowed 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.71 -0.677 . . . . 2.3 110.92 -174.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.667 ' HB3' HD22 ' A' ' 103' ' ' LEU . 18.9 m-85 -97.17 151.41 19.85 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.837 -1.074 . . . . 0.83 111.414 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 38.2 mtt180 -109.87 155.22 21.96 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.611 -0.885 . . . . 3.33 108.611 168.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 92' ' ' ASP . 9.4 t -74.03 114.11 11.97 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 105.935 -1.876 . . . . 0.91 105.935 158.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.59 0.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.114 0.415 . . . . 1.6 111.408 -176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 90' ' ' CYS . 0.0 OUTLIER -108.92 -40.92 4.87 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 116.432 -0.349 . . . . 2.13 110.716 -178.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 3.6 p -131.42 1.77 4.15 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 119.248 -0.981 . . . . 1.15 111.245 -170.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.92 39.22 95.24 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.309 -0.86 . . . . 1.01 113.585 171.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.667 ' HD2' ' CE1' ' A' ' 106' ' ' HIS . 85.0 mttt -80.43 131.25 35.56 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.286 -1.005 . . . . 1.97 108.286 166.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.77 HD23 ' HG2' ' A' ' 79' ' ' LYS . 4.1 mm? -96.53 114.55 26.22 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.221 0.534 . . . . 0.87 110.489 -174.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.544 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 58.6 m-85 -110.44 136.46 49.55 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 121.578 0.704 . . . . 0.62 110.182 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.596 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 71.3 p -81.7 -8.21 59.68 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.699 -1.137 . . . . 0.61 110.276 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 101' ' ' GLY . 40.7 m -132.12 128.72 38.72 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 114.699 -1.137 . . . . 0.79 109.284 176.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.527 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 5.3 p -66.91 -25.07 66.19 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.805 -0.634 . . . . 0.74 110.906 -177.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.641 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -73.04 -46.28 28.86 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.903 -0.665 . . . . 0.71 112.264 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.44 ' H ' HG22 ' A' ' 99' ' ' THR . 3.9 m-20 -56.01 -39.4 71.84 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 108.599 -0.889 . . . . 1.4 108.599 172.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.0 tp -63.53 -52.2 62.18 Favored 'General case' 0 N--CA 1.421 -1.898 0 CA-C-N 113.863 -1.517 . . . . 0.54 109.502 178.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.639 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 24.2 ttpp -50.93 -45.92 60.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.265 -1.334 . . . . 2.27 111.913 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 101' ' ' GLY . 27.8 mmt180 -56.57 -42.27 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 4.34 109.251 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.693 ' O ' HG22 ' A' ' 109' ' ' VAL . 79.7 t60 -75.76 -16.94 60.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.631 -1.168 . . . . 0.96 111.949 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.639 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 3.1 mm-40 -82.26 -27.13 32.6 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 106.733 -1.58 . . . . 1.53 106.733 -178.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -80.41 -25.85 38.82 Favored 'General case' 0 C--O 1.2 -1.536 0 CA-C-N 112.914 -1.948 . . . . 1.18 110.614 -177.377 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.6 m -70.15 -22.92 24.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 C-N-CA 119.525 -0.87 . . . . 1.27 109.558 179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.471 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 81.1 m-70 -88.56 -4.48 58.58 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.862 -0.608 . . . . 1.32 111.272 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -155.73 38.15 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.963 0.887 . . . . 1.93 109.2 -177.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.247 0.919 0 CA-C-O 118.639 -1.089 . . . . 2.49 111.803 -172.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.179 -0.304 . . . . 4.18 110.179 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.23 118.8 5.72 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 123.055 2.503 . . . . 2.07 111.353 173.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.813 ' HB3' HD22 ' A' ' 75' ' ' LEU . 3.8 m-30 -116.53 116.11 27.02 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 114.103 -1.408 . . . . 2.4 109.252 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.701 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -124.74 142.35 13.87 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 119.237 -1.458 . . . . 1.34 114.646 -171.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -63.45 123.47 18.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.798 -1.201 . . . . 1.27 110.017 177.094 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.51 -12.06 60.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.827 0.346 . . . . 3.94 111.739 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -35.34 11.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.123 0.786 . . . . 1.76 113.123 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 4.2 p -119.94 -3.05 10.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.917 0.865 . . . . 1.32 108.995 -174.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.12 37.77 95.03 Favored Glycine 0 N--CA 1.436 -1.358 0 CA-C-N 113.785 -1.552 . . . . 1.31 113.804 173.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -110.54 114.7 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.162 -0.31 . . . . 2.43 110.162 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.701 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -93.8 135.38 35.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.308 0.575 . . . . 1.39 111.047 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.595 ' CD2' HD22 ' A' ' 74' ' ' LEU . 37.0 m-85 -113.64 147.78 37.47 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.35 -0.841 . . . . 1.33 111.099 178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -72.99 -38.38 66.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.624 -1.171 . . . . 3.89 111.108 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.858 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 3.9 mp -102.73 146.62 27.96 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.9 0.381 . . . . 1.92 110.208 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.66 HD12 ' CD2' ' A' ' 60' ' ' TYR . 5.1 mm -71.28 -39.2 72.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.929 -0.578 . . . . 1.59 109.652 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.45 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 15.4 m -70.9 -26.78 63.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.36 0.6 . . . . 1.77 110.066 176.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.858 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -61.14 -54.96 37.91 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.699 -0.682 . . . . 1.15 110.784 173.566 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.813 HD22 ' HB3' ' A' ' 60' ' ' TYR . 7.6 tp -68.94 -27.77 66.04 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.415 -0.811 . . . . 1.08 109.765 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.6 t-20 -64.83 -37.78 88.78 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.12 -0.945 . . . . 1.34 109.646 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.506 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 2.7 mm? -81.51 -19.94 41.14 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.601 -0.727 . . . . 0.64 110.571 177.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.456 ' CE1' ' HE2' ' A' ' 82' ' ' HIS . 66.0 t60 -71.03 -41.4 70.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.759 -0.655 . . . . 0.72 109.711 171.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.561 ' HD3' ' CD2' ' A' ' 96' ' ' LEU . 13.7 ptpt -80.37 -24.17 39.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.171 -0.468 . . . . 2.06 109.93 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.89 ' HE2' ' H ' ' A' ' 86' ' ' ALA . 30.2 ttmt -69.14 -37.12 78.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.85 109.664 168.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 81' ' ' ARG . 3.6 tmt_? -58.26 -49.95 75.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 3.88 111.738 -178.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.456 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 89.4 m-70 -63.41 -36.7 84.61 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.073 0.397 . . . . 1.03 112.073 -175.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.3 m -88.56 -3.86 58.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.816 0.341 . . . . 1.45 110.955 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 91.11 -51.13 3.12 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 110.719 -0.952 . . . . 0.67 110.719 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.703 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 3.6 pt-20 -146.15 164.94 30.62 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 107.37 -1.345 . . . . 2.0 107.37 173.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.89 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -118.63 89.69 3.18 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.212 0.529 . . . . 0.78 110.131 -178.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.554 ' HD3' ' OE1' ' A' ' 85' ' ' GLU . 10.1 mmm180 -87.51 -81.13 0.24 Allowed 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.363 -0.835 . . . . 2.3 110.996 -176.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.676 ' HB3' HD22 ' A' ' 103' ' ' LEU . 19.5 m-85 -93.83 153.6 18.19 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.122 -0.944 . . . . 0.83 110.006 176.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 32.5 ptt180 -123.91 152.4 42.46 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 108.572 -0.899 . . . . 3.33 108.572 167.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.528 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 3.0 t -63.43 114.6 3.97 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.386 -1.339 . . . . 0.91 107.386 171.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.95 6.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.123 0.416 . . . . 1.6 112.123 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.44 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 5.4 p30 -120.37 -32.99 3.98 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.625 -0.43 . . . . 2.13 111.97 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.931 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 7.8 p -129.06 -8.72 4.85 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 119.404 -0.918 . . . . 1.15 111.031 -174.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.47 35.7 40.97 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.423 -0.808 . . . . 1.01 113.52 169.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.931 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 73.7 mttt -89.34 130.72 35.67 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.774 -0.454 . . . . 1.97 109.774 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.561 ' CD2' ' HD3' ' A' ' 79' ' ' LYS . 3.5 mm? -91.51 120.61 32.47 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.145 0.497 . . . . 0.87 111.442 -172.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 82.0 m-85 -118.8 133.08 56.09 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.283 -0.871 . . . . 0.62 109.389 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.551 HG22 ' HG2' ' A' ' 85' ' ' GLU . 27.8 p -78.76 -9.5 59.46 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.547 -0.751 . . . . 0.61 109.978 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 102' ' ' ASN . 48.0 m -127.36 129.64 47.97 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.709 -1.132 . . . . 0.79 109.604 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 52.2 p -68.06 -27.63 66.68 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 116.132 -0.485 . . . . 0.74 111.214 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 104' ' ' LYS . . . -75.51 -39.15 36.07 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.757 -0.735 . . . . 0.71 112.514 174.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.555 ' H ' HG22 ' A' ' 99' ' ' THR . 95.0 m-20 -60.17 -41.26 92.48 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 108.29 -1.004 . . . . 1.4 108.29 172.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.3 tp -63.15 -55.89 21.39 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 113.859 -1.519 . . . . 0.54 109.508 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.567 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 27.7 ttmt -43.97 -53.15 6.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.322 -1.308 . . . . 2.27 112.728 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.6 ' HA ' HD22 ' A' ' 108' ' ' LEU . 38.3 ptt180 -62.17 -31.8 72.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.168 -0.613 . . . . 4.34 110.533 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.682 ' O ' HG22 ' A' ' 109' ' ' VAL . 73.3 t60 -76.92 -17.82 58.68 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.164 0.507 . . . . 0.96 110.917 174.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.567 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 2.7 mm-40 -84.3 -25.47 29.27 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 107.089 -1.448 . . . . 1.53 107.089 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.6 HD22 ' HA ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -81.7 -15.28 54.94 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 113.177 -1.828 . . . . 1.18 110.93 -177.107 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 106' ' ' HIS . 7.0 m -83.99 -20.45 8.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 C-N-CA 119.661 -0.816 . . . . 1.27 109.372 176.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.45 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 43.9 m-70 -83.69 -15.15 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.693 . . . . 1.32 110.523 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 t -160.54 55.14 0.32 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.415 0.626 . . . . 1.93 109.547 -176.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.504 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.707 -1.052 . . . . 2.49 112.487 -176.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 20.1 ptpt . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.01 -0.367 . . . . 4.18 110.01 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 18.6 Cg_exo -66.9 117.6 4.9 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.754 2.303 . . . . 2.07 112.651 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.446 ' HB3' HD22 ' A' ' 75' ' ' LEU . 22.1 m-85 -106.29 102.03 11.46 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 114.176 -1.374 . . . . 2.4 107.987 170.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.733 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -113.53 150.74 18.49 Favored Glycine 0 N--CA 1.431 -1.695 0 C-N-CA 119.439 -1.362 . . . . 1.34 114.15 -168.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 64' ' ' GLU . 2.5 t -73.23 99.9 2.97 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 113.718 -1.241 . . . . 1.27 108.067 171.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.47 -5.43 23.89 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.945 0.879 . . . . 3.94 109.683 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . 1.4 tt0 -76.21 -43.86 40.38 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.194 -1.366 . . . . 1.76 110.806 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.2 p -123.84 -19.41 5.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.457 0.646 . . . . 1.32 110.037 -173.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.41 31.61 8.26 Favored Glycine 0 N--CA 1.433 -1.511 0 CA-C-N 115.196 -0.911 . . . . 1.31 114.065 170.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -111.01 121.38 45.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.795 0.298 . . . . 2.43 110.272 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.733 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -93.28 139.08 31.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.164 0.507 . . . . 1.39 111.683 -178.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.55 ' CD2' HD22 ' A' ' 74' ' ' LEU . 48.2 m-85 -115.97 168.32 10.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.61 -0.723 . . . . 1.33 110.546 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' C ' HD13 ' A' ' 71' ' ' LEU . 41.1 mtm180 -87.75 -41.82 13.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.506 -0.316 . . . . 3.89 110.946 -177.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.617 HD22 HD12 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -106.61 159.63 16.05 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 121.134 -0.227 . . . . 1.92 110.698 -176.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 25.0 mm -65.39 -48.07 84.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.617 -0.265 . . . . 1.59 110.402 175.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.547 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 8.5 t -65.51 -28.43 69.18 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-O 120.976 0.417 . . . . 1.77 110.513 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.617 HD12 HD22 ' A' ' 71' ' ' LEU . 1.5 mt -57.07 -57.42 12.63 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.999 0.904 . . . . 1.15 111.024 172.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.9 tp -69.71 -25.99 64.13 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 113.915 -1.493 . . . . 1.08 109.805 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 73' ' ' SER . 1.6 t-20 -70.62 -35.73 73.1 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.284 -1.326 . . . . 1.34 109.243 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.564 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.1 mm? -79.98 -23.78 41.37 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.607 -0.724 . . . . 0.64 110.22 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -69.26 -41.3 77.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.452 -0.794 . . . . 0.72 109.243 170.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -71.23 -39.88 71.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.307 -0.861 . . . . 2.06 108.818 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 1.002 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 28.6 ttmt -58.54 -40.87 84.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.787 -1.097 . . . . 0.85 110.182 172.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -58.07 -45.38 87.21 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.485 -0.325 . . . . 3.88 111.467 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -65.22 -35.95 82.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.389 -0.369 . . . . 1.03 111.285 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.7 m -101.05 17.32 22.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.523 -0.308 . . . . 1.45 111.526 -173.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.67 -62.87 3.49 Favored Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 111.195 -0.762 . . . . 0.67 111.195 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 1.002 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 8.3 pt-20 -154.37 134.87 13.44 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 109.089 -0.708 . . . . 2.0 109.089 174.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.436 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -80.11 90.69 5.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.025 -0.534 . . . . 0.78 110.75 -177.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.648 ' CG ' ' HA ' ' A' ' 98' ' ' THR . 9.5 mmm180 -85.44 -86.33 0.14 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.673 -0.694 . . . . 2.3 111.682 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.674 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 18.0 m-85 -93.72 154.03 18.02 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.745 -1.116 . . . . 0.83 110.651 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.615 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.7 mtt180 -111.76 153.86 25.89 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 108.831 -0.803 . . . . 3.33 108.831 167.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.711 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 2.4 t -67.47 111.38 4.07 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 106.199 -1.778 . . . . 0.91 106.199 164.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.3 1.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.138 0.421 . . . . 1.6 112.138 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.474 ' H ' ' C ' ' A' ' 90' ' ' CYS . 1.9 p30 -114.74 -33.17 5.58 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.695 -0.229 . . . . 2.13 111.595 -177.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.879 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 10.5 p -130.73 -16.48 3.33 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 119.178 -1.009 . . . . 1.15 111.549 -174.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 88.42 27.1 26.02 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 116.511 -0.313 . . . . 1.01 112.856 169.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.879 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 68.3 mttt -81.66 138.64 35.26 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 110.209 -0.293 . . . . 1.97 110.209 175.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.674 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.6 mm? -94.31 122.71 37.14 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.386 0.612 . . . . 0.87 111.445 -173.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 82.1 m-85 -121.44 135.92 55.01 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.41 -0.814 . . . . 0.62 110.013 176.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.648 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 46.6 p -80.83 -6.42 58.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.515 -0.766 . . . . 0.61 110.608 -176.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 102' ' ' ASN . 3.6 m -138.54 129.77 27.16 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 114.871 -1.059 . . . . 0.79 109.336 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.616 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 13.7 p -66.04 -25.46 67.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 0.74 111.385 -177.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.29 -43.61 54.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.71 112.455 175.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.579 ' H ' HG22 ' A' ' 99' ' ' THR . 21.5 m120 -61.71 -38.91 89.62 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 108.745 -0.835 . . . . 1.4 108.745 172.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 88' ' ' TYR . 16.8 tp -61.13 -49.64 76.46 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-N 114.162 -1.381 . . . . 0.54 108.919 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.551 ' O ' HD13 ' A' ' 108' ' ' LEU . 27.1 ttpp -51.63 -46.78 63.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.067 -1.424 . . . . 2.27 111.804 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 109' ' ' VAL . 40.9 mmt180 -54.2 -45.51 72.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.754 0.787 . . . . 4.34 109.924 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.711 ' HD2' ' SG ' ' A' ' 90' ' ' CYS . 43.1 t60 -74.16 -16.1 61.0 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.558 -1.201 . . . . 0.96 111.239 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 4.9 mm-40 -83.25 -29.74 28.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.52 -1.289 . . . . 1.53 107.52 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.573 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -77.59 -18.15 57.13 Favored 'General case' 0 CA--C 1.494 -1.181 0 CA-C-N 113.406 -1.724 . . . . 1.18 110.787 -176.602 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 106' ' ' HIS . 5.4 m -78.48 -22.62 13.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 C-N-CA 119.557 -0.857 . . . . 1.27 109.497 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.476 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 66.9 m-70 -88.31 -7.68 56.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.813 -0.63 . . . . 1.32 110.685 176.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.4 p -152.29 44.86 0.72 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.543 0.687 . . . . 1.93 109.761 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.744 -1.031 . . . . 2.49 111.968 -174.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 68.3 mttm . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.736 -0.468 . . . . 4.18 109.736 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 17.2 Cg_exo -66.65 116.75 4.26 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.284 1.989 . . . . 2.07 111.353 177.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.47 ' CE2' HG12 ' A' ' 72' ' ' ILE . 41.0 m-85 -121.35 85.61 2.43 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.906 -1.146 . . . . 2.4 107.906 174.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 1.032 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -105.24 144.95 15.84 Favored Glycine 0 N--CA 1.427 -1.957 0 C-N-CA 120.097 -1.049 . . . . 1.34 113.031 -170.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.548 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -71.72 99.15 2.07 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 108.202 -1.036 . . . . 1.27 108.202 173.501 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -66.17 -3.75 6.26 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.205 0.526 . . . . 3.94 111.648 -176.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.03 -39.73 15.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.689 -0.687 . . . . 1.76 111.629 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.548 ' SG ' ' HB3' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -119.72 -6.28 10.15 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.879 0.847 . . . . 1.32 109.268 -172.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.39 25.94 67.01 Favored Glycine 0 N--CA 1.429 -1.804 0 CA-C-N 114.283 -1.326 . . . . 1.31 113.579 171.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HZ3' ' HB3' ' A' ' 67' ' ' LYS . 8.6 mtpm? -104.42 109.67 21.63 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.694 -0.484 . . . . 2.43 109.694 175.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 1.032 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -89.95 142.61 27.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.943 0.401 . . . . 1.39 110.327 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.569 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 41.4 m-85 -120.7 152.53 38.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.412 0.625 . . . . 1.33 111.251 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 7.5 ttp180 -72.99 -39.93 65.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.628 -1.169 . . . . 3.89 111.022 -178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.721 ' HB2' ' HB2' ' A' ' 74' ' ' LEU . 5.3 mp -106.14 152.55 23.29 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.965 -0.561 . . . . 1.92 111.386 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 11.0 mm -66.67 -41.07 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.805 -0.634 . . . . 1.59 109.445 172.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.562 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 13.5 p -68.57 -29.06 67.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.401 0.619 . . . . 1.77 110.833 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.721 ' HB2' ' HB2' ' A' ' 71' ' ' LEU . 1.7 mt -62.34 -54.57 38.59 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 121.596 0.712 . . . . 1.15 111.323 174.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 9.0 tp -69.52 -25.21 63.92 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.819 -1.082 . . . . 1.08 109.344 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -63.11 -43.86 97.25 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.275 -1.329 . . . . 1.34 109.585 177.408 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 3.8 mm? -77.95 -22.07 50.08 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.491 -0.777 . . . . 0.64 110.568 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 81' ' ' ARG . 61.5 t60 -70.77 -37.82 73.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.006 -0.739 . . . . 0.72 109.006 170.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.469 ' HE3' HD23 ' A' ' 96' ' ' LEU . 14.6 tppt? -69.14 -37.03 78.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.847 -0.797 . . . . 2.06 108.847 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 1.063 ' HG2' ' HA ' ' A' ' 85' ' ' GLU . 73.6 mttt -62.58 -31.42 72.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.783 -1.099 . . . . 0.85 110.776 173.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 30.0 tpt180 -62.82 -41.04 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.894 -0.593 . . . . 3.88 110.86 177.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -82.59 -51.72 7.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.55 -0.295 . . . . 1.03 111.735 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -113.07 30.8 6.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.487 0.551 . . . . 1.45 112.487 -167.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.71 -58.33 4.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.852 -0.689 . . . . 0.67 112.659 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 1.063 ' HA ' ' HG2' ' A' ' 80' ' ' LYS . 7.9 pt-20 -166.01 142.43 5.11 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.226 0.536 . . . . 2.0 110.273 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.563 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -82.12 83.4 7.35 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.64 -0.709 . . . . 0.78 110.75 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.558 ' HG2' ' HG3' ' A' ' 85' ' ' GLU . 26.3 mmm180 -82.55 -90.91 0.07 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.636 -0.711 . . . . 2.3 111.719 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.719 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 21.4 m-85 -88.3 146.06 25.51 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.931 -1.031 . . . . 0.83 110.326 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.667 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 37.4 mtt85 -105.47 153.62 21.46 Favored 'General case' 0 CA--C 1.492 -1.288 0 N-CA-C 108.598 -0.89 . . . . 3.33 108.598 169.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.62 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 7.6 t -71.63 108.27 4.9 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 106.064 -1.828 . . . . 0.91 106.064 164.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.98 14.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.37 0.507 . . . . 1.6 112.37 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 90' ' ' CYS . 2.1 p30 -120.24 -38.03 2.98 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.493 -0.321 . . . . 2.13 111.372 173.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.737 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 11.4 p -130.27 -8.34 4.26 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 119.629 -0.828 . . . . 1.15 111.677 -173.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.65 39.09 35.54 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.814 -0.63 . . . . 1.01 114.106 170.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.737 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 28.7 mtpt -81.99 144.83 30.61 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.472 -0.936 . . . . 1.97 108.472 169.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.719 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.9 mm? -104.52 106.01 16.34 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.445 -0.502 . . . . 0.87 110.99 -174.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 80.2 m-85 -103.26 135.73 44.35 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.557 -0.747 . . . . 0.62 109.742 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.9 p -80.22 -11.66 59.71 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.228 -0.896 . . . . 0.61 110.022 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 102' ' ' ASN . 92.7 m -121.88 128.03 51.14 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 114.863 -1.062 . . . . 0.79 109.44 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.594 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 13.3 p -67.22 -33.78 76.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.223 -0.444 . . . . 0.74 110.313 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -66.71 -42.95 92.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.906 -0.664 . . . . 0.71 112.303 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.51 ' H ' HG22 ' A' ' 99' ' ' THR . 5.3 m-20 -63.69 -36.09 82.72 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 108.656 -0.868 . . . . 1.4 108.656 175.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.693 HD22 ' HB3' ' A' ' 88' ' ' TYR . 11.2 tp -65.18 -51.11 63.07 Favored 'General case' 0 N--CA 1.422 -1.871 0 CA-C-N 114.01 -1.45 . . . . 0.54 109.225 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 26.6 mtpp -54.64 -42.54 71.37 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.262 -1.336 . . . . 2.27 111.688 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.547 ' O ' HG13 ' A' ' 109' ' ' VAL . 41.5 mmt180 -55.33 -45.42 76.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.889 0.376 . . . . 4.34 109.996 175.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.699 ' O ' HG22 ' A' ' 109' ' ' VAL . 77.0 t60 -72.34 -17.56 61.83 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.898 -0.592 . . . . 0.96 111.808 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.62 ' NE2' ' HA ' ' A' ' 90' ' ' CYS . 8.0 mm-40 -79.4 -29.21 41.92 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.119 -1.437 . . . . 1.53 107.119 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -78.24 -33.06 49.99 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-N 113.274 -1.785 . . . . 1.18 110.001 -177.125 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.4 m -64.44 -21.5 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 C-N-CA 120.291 -0.564 . . . . 1.27 109.691 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.441 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 34.6 m-70 -76.49 -14.85 60.01 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.846 -0.616 . . . . 1.32 112.107 178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.6 p -158.18 33.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.498 0.666 . . . . 1.93 110.492 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 N--CA 1.44 -1.044 0 CA-C-O 118.709 -1.051 . . . . 2.49 112.083 -172.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.3 pttt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.195 -0.298 . . . . 4.18 110.195 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.78 123.03 12.71 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.465 2.777 . . . . 2.07 112.442 174.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.405 ' CE2' HG12 ' A' ' 72' ' ' ILE . 61.7 m-85 -102.43 101.06 11.24 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 113.728 -1.578 . . . . 2.4 108.803 178.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.67 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -102.92 145.59 16.36 Favored Glycine 0 N--CA 1.431 -1.656 0 C-N-CA 119.755 -1.212 . . . . 1.34 113.212 -173.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.521 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -61.02 154.94 21.36 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.068 -1.066 . . . . 1.27 112.157 -175.403 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -74.45 -37.3 63.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.559 -1.201 . . . . 3.94 111.023 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.477 ' OE1' ' SG ' ' A' ' 62' ' ' CYS . 1.5 pm0 -100.75 -40.74 7.19 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.588 0.588 . . . . 1.76 112.588 -167.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.2 p -109.3 -14.65 14.42 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.401 1.096 . . . . 1.32 108.241 -171.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 60.55 34.19 84.83 Favored Glycine 0 N--CA 1.432 -1.591 0 CA-C-N 113.033 -1.894 . . . . 1.31 114.588 171.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' O ' ' HA2' ' A' ' 61' ' ' GLY . 96.3 mttt -86.5 128.74 34.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.235 -0.654 . . . . 2.43 109.235 173.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.67 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -88.06 131.1 34.79 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 121.926 0.87 . . . . 1.39 112.26 -176.47 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.703 ' HB3' ' HB3' ' A' ' 74' ' ' LEU . 39.5 m-85 -122.86 129.72 51.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.428 -1.26 . . . . 1.33 109.867 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -74.55 -18.07 60.64 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.289 -0.564 . . . . 3.89 112.233 -174.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.585 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -105.2 150.45 25.08 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.356 -0.538 . . . . 1.92 110.404 170.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 13.0 mm -69.49 -42.44 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 1.59 109.649 175.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.2 m -61.11 -38.98 88.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 1.77 110.525 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.703 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 3.8 mt -51.12 -57.05 9.72 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.443 -0.798 . . . . 1.15 111.824 173.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 16.3 tp -70.4 -26.17 63.57 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 114.443 -1.253 . . . . 1.08 109.848 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.544 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -72.57 -39.34 67.5 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.224 -1.353 . . . . 1.34 109.322 -178.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 1.4 mm? -80.6 -19.58 45.2 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 115.413 -0.812 . . . . 0.64 110.062 178.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -73.72 -41.22 62.85 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.348 -0.842 . . . . 0.72 109.96 172.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' ' 76' ' ' ASN . 16.8 ptpt -78.1 -29.02 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.126 -0.694 . . . . 2.06 109.126 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.937 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 29.8 ttmt -62.41 -38.08 88.28 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.162 -0.926 . . . . 0.85 109.65 169.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -63.6 -34.71 78.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.547 -0.751 . . . . 3.88 111.856 -177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -65.91 -25.24 67.06 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.8 0.296 . . . . 1.03 111.8 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m -119.06 16.68 13.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.808 0.337 . . . . 1.45 111.066 -176.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.44 -50.15 4.16 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.664 -0.779 . . . . 0.67 111.499 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.937 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -150.24 -179.93 7.59 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 108.774 -0.824 . . . . 2.0 108.774 173.312 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.774 ' H ' ' HE2' ' A' ' 80' ' ' LYS . . . -133.4 98.99 4.38 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.598 -0.89 . . . . 0.78 108.598 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.572 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 9.4 mmm180 -91.44 -82.35 0.3 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.443 0.639 . . . . 2.3 111.613 -170.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.64 ' HB3' HD22 ' A' ' 103' ' ' LEU . 14.3 m-85 -91.44 159.72 15.82 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.01 -0.996 . . . . 0.83 110.174 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 95' ' ' LYS . 27.7 ptt180 -126.75 154.02 44.76 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.991 -0.744 . . . . 3.33 108.991 168.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.478 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 5.5 t -64.03 131.89 48.95 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.12 -1.067 . . . . 0.91 108.12 173.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -75.83 5.73 5.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.934 0.397 . . . . 1.6 111.048 -174.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.466 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.7 p30 -120.56 -42.56 2.53 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.36 -0.382 . . . . 2.13 111.85 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.0 p -126.42 3.67 6.95 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.452 0.644 . . . . 1.15 110.178 -168.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.02 36.69 91.13 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 114.867 -1.061 . . . . 1.01 114.526 171.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 83.9 mttt -81.59 131.86 35.29 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.839 -0.43 . . . . 1.97 109.839 171.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.587 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.0 mm? -91.14 121.9 33.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.208 0.528 . . . . 0.87 110.732 -175.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.567 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 54.1 m-85 -120.0 135.17 55.02 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.399 -0.819 . . . . 0.62 109.915 176.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.569 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 79.3 p -80.12 -11.03 59.79 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.093 -0.958 . . . . 0.61 110.554 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.596 HG22 ' H ' ' A' ' 102' ' ' ASN . 8.1 m -128.89 129.01 44.97 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 114.914 -1.039 . . . . 0.79 109.106 177.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 5.9 p -68.05 -26.0 65.64 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.718 -0.673 . . . . 0.74 110.996 -175.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 105' ' ' ARG . . . -72.28 -44.77 42.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.121 -0.561 . . . . 0.71 112.531 175.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.596 ' H ' HG22 ' A' ' 99' ' ' THR . 17.3 m120 -59.36 -38.3 80.08 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 108.331 -0.988 . . . . 1.4 108.331 173.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 88' ' ' TYR . 14.0 tp -63.02 -51.09 68.13 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-N 114.007 -1.451 . . . . 0.54 109.589 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.459 ' O ' HD13 ' A' ' 108' ' ' LEU . 24.2 ttmm -54.53 -46.14 73.5 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 114.23 -1.35 . . . . 2.27 111.305 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.604 ' O ' HG13 ' A' ' 109' ' ' VAL . 46.1 mtt180 -56.42 -41.86 77.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.137 0.494 . . . . 4.34 109.815 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.695 ' O ' HG22 ' A' ' 109' ' ' VAL . 72.0 t60 -72.35 -18.1 61.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.629 -0.714 . . . . 0.96 111.344 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 103' ' ' LEU . 13.1 mm-40 -82.73 -26.74 31.68 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.657 -1.238 . . . . 1.53 107.657 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -80.55 -29.0 37.14 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 113.584 -1.643 . . . . 1.18 110.041 -178.303 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 106' ' ' HIS . 6.1 m -65.29 -21.93 30.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 C-N-CA 119.861 -0.736 . . . . 1.27 109.393 178.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.546 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 57.3 m-70 -83.16 -1.8 53.86 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.882 -0.599 . . . . 1.32 112.201 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.7 t -174.37 46.59 0.01 OUTLIER 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.452 0.644 . . . . 1.93 109.428 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.477 -1.179 . . . . 2.49 113.085 -172.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.8 mttp . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 110.267 -0.272 . . . . 4.18 110.267 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.37 116.79 4.09 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.436 2.091 . . . . 2.07 112.132 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -122.09 104.43 9.49 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 114.336 -1.302 . . . . 2.4 108.422 174.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.674 ' HA2' ' HA ' ' A' ' 68' ' ' SER . . . -118.59 155.63 16.0 Favored Glycine 0 N--CA 1.433 -1.54 0 C-N-CA 119.348 -1.406 . . . . 1.34 114.472 -168.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.561 ' O ' ' HA2' ' A' ' 66' ' ' GLY . 53.3 t -76.78 140.57 40.79 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.577 -1.312 . . . . 1.27 109.999 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -90.49 -24.69 20.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.301 0.572 . . . . 3.94 109.819 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -37.8 21.04 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.615 -0.721 . . . . 1.76 111.81 -171.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.6 p -116.42 -22.85 8.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.746 0.784 . . . . 1.32 109.039 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.561 ' HA2' ' O ' ' A' ' 62' ' ' CYS . . . 88.04 22.81 40.39 Favored Glycine 0 N--CA 1.433 -1.531 0 CA-C-N 114.493 -1.23 . . . . 1.31 113.806 169.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 67' ' ' LYS . 25.9 mtpp -91.01 123.35 34.41 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.83 -0.348 . . . . 2.43 110.462 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.674 ' HA ' ' HA2' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -92.0 135.89 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.014 0.435 . . . . 1.39 111.001 178.337 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.619 ' CD2' HD22 ' A' ' 74' ' ' LEU . 50.6 m-85 -117.01 165.0 13.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.811 -0.632 . . . . 1.33 111.012 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -85.82 -40.26 16.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.978 -0.556 . . . . 3.89 111.635 -178.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.667 HD22 HD12 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -105.01 155.39 19.0 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.849 -0.34 . . . . 1.92 110.756 -178.555 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.625 ' O ' ' HB2' ' A' ' 76' ' ' ASN . 17.9 mm -64.56 -43.43 96.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.702 -0.481 . . . . 1.59 109.702 174.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 p -65.02 -34.61 78.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.446 . . . . 1.77 110.866 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.667 HD12 HD22 ' A' ' 71' ' ' LEU . 2.5 mt -54.74 -56.65 16.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.67 0.747 . . . . 1.15 111.755 173.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . 10.8 tp -71.61 -25.16 62.05 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.67 -1.15 . . . . 1.08 109.553 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.625 ' HB2' ' O ' ' A' ' 72' ' ' ILE . 1.3 t-20 -68.99 -40.65 78.63 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.521 -1.218 . . . . 1.34 108.924 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.598 ' HA ' ' HB3' ' A' ' 80' ' ' LYS . 3.2 mm? -80.5 -19.84 44.96 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.159 -0.928 . . . . 0.64 110.254 179.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -68.11 -44.7 75.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.694 -0.684 . . . . 0.72 109.773 169.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -73.69 -34.29 64.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.313 -0.858 . . . . 2.06 108.876 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 1.073 ' HG3' ' HA ' ' A' ' 85' ' ' GLU . 29.0 ttmt -66.85 -38.93 87.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.913 -1.04 . . . . 0.85 110.293 172.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 -58.72 -44.31 90.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 3.88 111.66 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -56.06 -49.83 72.67 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.932 0.345 . . . . 1.03 111.932 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -100.7 28.38 5.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.864 0.364 . . . . 1.45 111.033 -175.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.92 -58.74 4.54 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.07 -0.812 . . . . 0.67 111.07 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 1.073 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 11.1 pt-20 -163.48 141.66 7.8 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.58 0.705 . . . . 2.0 110.544 173.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.546 ' HB1' ' HG ' ' A' ' 96' ' ' LEU . . . -78.68 96.62 5.59 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.208 -0.905 . . . . 0.78 110.583 179.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' A' ' 97' ' ' PHE . 9.7 mmm180 -85.51 -89.71 0.11 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.42 -0.809 . . . . 2.3 111.16 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.69 ' O ' ' HA ' ' A' ' 96' ' ' LEU . 22.3 m-85 -90.7 151.25 21.32 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.921 -1.036 . . . . 0.83 111.363 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.684 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.4 mtt180 -108.91 155.29 21.01 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.638 -0.875 . . . . 3.33 108.638 169.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.535 ' SG ' ' HD2' ' A' ' 106' ' ' HIS . 4.6 t -74.17 125.43 28.36 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 107.577 -1.268 . . . . 0.91 107.577 168.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -63.91 1.3 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.154 0.427 . . . . 1.6 112.154 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.476 ' OD1' ' SG ' ' A' ' 90' ' ' CYS . 1.1 p30 -119.73 -39.2 2.87 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 112.123 0.416 . . . . 2.13 112.123 -177.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.528 ' SG ' ' HG3' ' A' ' 95' ' ' LYS . 12.3 p -130.22 1.24 4.66 Favored 'General case' 0 N--CA 1.435 -1.223 0 C-N-CA 119.591 -0.844 . . . . 1.15 111.125 -169.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 59.7 36.32 89.32 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.474 -0.785 . . . . 1.01 113.916 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.528 ' HG3' ' SG ' ' A' ' 93' ' ' CYS . 90.0 mttt -80.87 134.21 35.72 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.569 -0.53 . . . . 1.97 109.569 170.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.69 ' HA ' ' O ' ' A' ' 88' ' ' TYR . 3.7 mm? -93.86 119.51 32.89 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.111 0.481 . . . . 0.87 111.094 -173.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 62.3 m-85 -119.62 138.48 53.21 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.493 -0.776 . . . . 0.62 110.432 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.515 ' HA ' ' CG ' ' A' ' 87' ' ' ARG . 81.8 p -82.3 -10.41 59.11 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.892 -1.049 . . . . 0.61 110.304 -177.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.594 HG22 ' H ' ' A' ' 102' ' ' ASN . 55.3 m -127.73 128.75 45.92 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.61 -1.177 . . . . 0.79 109.317 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 88' ' ' TYR . 22.5 p -69.27 -27.38 65.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.314 -0.403 . . . . 0.74 110.922 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.418 ' O ' ' HG2' ' A' ' 105' ' ' ARG . . . -79.05 -34.92 32.07 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.436 -0.888 . . . . 0.71 112.345 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.594 ' H ' HG22 ' A' ' 99' ' ' THR . 91.2 m-20 -63.11 -40.5 97.81 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 107.786 -1.19 . . . . 1.4 107.786 171.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 88' ' ' TYR . 14.9 tp -59.98 -57.79 11.32 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-N 113.57 -1.65 . . . . 0.54 109.266 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.785 ' HA ' ' HG3' ' A' ' 107' ' ' GLN . 18.1 ttmm -45.21 -48.08 12.61 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.409 -1.269 . . . . 2.27 112.266 176.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.582 ' O ' HG13 ' A' ' 109' ' ' VAL . 23.6 mmm180 -53.94 -45.4 71.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 4.34 110.442 175.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.643 ' O ' HG22 ' A' ' 109' ' ' VAL . 80.5 t60 -72.78 -17.46 61.58 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.901 -0.59 . . . . 0.96 111.58 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.785 ' HG3' ' HA ' ' A' ' 104' ' ' LYS . 1.6 mt-30 -84.52 -27.06 27.64 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 107.055 -1.461 . . . . 1.53 107.055 -176.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -74.45 -39.37 62.59 Favored 'General case' 0 CA--C 1.487 -1.467 0 CA-C-N 113.407 -1.724 . . . . 1.18 109.434 -178.372 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 106' ' ' HIS . 4.0 m -62.03 -16.45 15.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-O 121.007 0.432 . . . . 1.27 110.504 -174.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.496 ' HD2' ' O ' ' A' ' 106' ' ' HIS . 51.3 m-70 -76.96 -2.56 34.4 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.69 0.626 . . . . 1.32 112.69 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.8 m -153.04 -41.26 0.1 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.927 0.87 . . . . 1.93 110.362 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.31 -0.894 0 CA-C-N 113.743 -1.571 . . . . 2.49 112.357 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_